Molecular Weight:   | 284.03 |
Volume:   | 271.34 |
LogP:   | 3.524 |
LogD:   | 1.887 |
LogS:   | -4.092 |
# Rotatable Bonds:   | 1 |
TPSA:   | 111.9 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 3 |
# Heavy Atoms:   | 6 |
QED Drug-Likeness Score:   | 0.625 |
Synthetic Accessibility Score:   | 2.235 |
Fsp3:   | 0.0 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 1 |
Caco-2 Permeability:   | -5.232 |
MDCK Permeability:   | 7.93943036114797e-06 |
Pgp-inhibitor:   | 0.022 |
Pgp-substrate:   | 0.001 |
Human Intestinal Absorption (HIA):   | 0.063 |
20% Bioavailability (F20%):   | 0.131 |
30% Bioavailability (F30%):   | 0.999 |
Blood-Brain-Barrier Penetration (BBB):   | 0.096 |
Plasma Protein Binding (PPB):   | 98.09355926513672% |
Volume Distribution (VD):   | 0.497 |
Pgp-substrate:   | 1.8051166534423828% |
CYP1A2-inhibitor:   | 0.371 |
CYP1A2-substrate:   | 0.06 |
CYP2C19-inhibitor:   | 0.033 |
CYP2C19-substrate:   | 0.039 |
CYP2C9-inhibitor:   | 0.481 |
CYP2C9-substrate:   | 0.056 |
CYP2D6-inhibitor:   | 0.114 |
CYP2D6-substrate:   | 0.088 |
CYP3A4-inhibitor:   | 0.126 |
CYP3A4-substrate:   | 0.068 |
Clearance (CL):   | 0.908 |
Half-life (T1/2):   | 0.615 |
hERG Blockers:   | 0.028 |
Human Hepatotoxicity (H-HT):   | 0.297 |
Drug-inuced Liver Injury (DILI):   | 0.989 |
AMES Toxicity:   | 0.909 |
Rat Oral Acute Toxicity:   | 0.029 |
Maximum Recommended Daily Dose:   | 0.015 |
Skin Sensitization:   | 0.534 |
Carcinogencity:   | 0.62 |
Eye Corrosion:   | 0.003 |
Eye Irritation:   | 0.848 |
Respiratory Toxicity:   | 0.069 |
Natural Product ID:   | NPC288089 |
Common Name*:   | Rhein |
IUPAC Name:   | 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid |
Synonyms:   | Rhein |
Standard InCHIKey:   | FCDLCPWAQCPTKC-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21) |
SMILES:   | Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL418068 |
PubChem CID:   |
10168 |
Chemical Classification**:   |
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | Flowers | Tantempango, Hidalgo, Mexico | 2019-May | DOI[10.1007/s11130-020-00822-2] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | leaf | n.a. | DOI[10.1016/0031-9422(86)88033-5] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | stem | n.a. | DOI[10.1016/0031-9422(86)88033-5] |
NPO17774 | Hemerocallis fulva | Species | Xanthorrhoeaceae | Eukaryota | Flowers | n.a. | n.a. | DOI[10.1016/j.lwt.2014.11.023] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | whole plant | n.a. | n.a. | DOI[10.1016/j.tetlet.2016.12.029] |
NPO12079 | Dysoxylum cumingianum | Species | Meliaceae | Eukaryota | n.a. | leaf | n.a. | DOI[10.1021/jo00051a050] |
NPO88 | Rheum undulatum | Species | Polygonaceae | Eukaryota | rhizome | n.a. | n.a. |
PMID[10714491] |
NPO21244 | Delphinium nuttallianum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10978210] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11076555] |
NPO14520 | Bassia muricata | Species | Chenopodiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[11454355] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[11459643] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11575955] |
NPO3854 | Ruta graveolens | Species | Rutaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[12568545] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[12828478] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1517743] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | root | n.a. |
PMID[15520511] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[15620254] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[1624939] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16297615] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | n.a. | root | n.a. |
PMID[16564530] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17027268] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | stems | Yunnan Province, China | 2004 |
PMID[17253844] |
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | n.a. | seed | n.a. |
PMID[17345316] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | Stems | purchased from Kyoungdong Oriental Herbal Market, Seoul, Korea | 2006-APR |
PMID[18052323] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | whole plant | n.a. |
PMID[18543151] |
NPO21244 | Delphinium nuttallianum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19012276] |
NPO2188 | Dendrobium candidum | Species | Orchidaceae | Eukaryota | n.a. | stem | n.a. |
PMID[19182417] |
NPO3854 | Ruta graveolens | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19191562] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[19715321] |
NPO12477 | Dodonaea viscosa | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19719093] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[19931461] |
NPO29334 | Oplopanax elatus | Species | Araliaceae | Eukaryota | stems | n.a. | n.a. |
PMID[20387902] |
NPO8921 | Senna obtusifolia | Species | Fabaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[2213033] |
NPO12477 | Dodonaea viscosa | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22512738] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23403897] |
NPO32783 | endophytic aspergillus | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[23683594] |
NPO32491 | rumex plants | n.a. | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23683594] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24358188] |
NPO31520 | Polygonum multiflorum | Species | Polygonaceae | Eukaryota | roots | n.a. | n.a. |
PMID[24499304] |
NPO23332 | Dendrobium fimbriatum | Species | Orchidaceae | Eukaryota | stems | n.a. | n.a. |
PMID[25316316] |
NPO19996 | Caulerpa peltata | Species | Caulerpaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25593390] |
NPO31136 | Cassia tora | Species | Fabaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[26483136] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | Stems | n.a. | n.a. |
PMID[27310249] |
NPO3854 | Ruta graveolens | Species | Rutaceae | Eukaryota | Whole Plants | n.a. | n.a. |
PMID[28093914] |
NPO13237 | Teucrium yemense | Species | n.a. | n.a. | Aerial Parts | n.a. | n.a. |
PMID[28581290] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[29359942] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31291099] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31944695] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | Roots; Tubers | n.a. | n.a. |
PMID[7714535] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8277318] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8778246] |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO31136 | Cassia tora | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14304 | Physalis alkekengi | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20881 | Rheum officinale | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29780 | Cassia mimosoides | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20900 | Dendrobium chrysotoxum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20490 | Erythrophleum ivorense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26917 | Quercus rubra | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14014 | Eriocheir sinensis | Species | Varunidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29776 | Cassia acutifolia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3854 | Ruta graveolens | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO31520 | Polygonum multiflorum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12477 | Dodonaea viscosa | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20144 | Lespedeza tomentosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7632 | Rheum tanguticum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29334 | Oplopanax elatus | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17774 | Hemerocallis fulva | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28024 | Rheum palmatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17774 | Hemerocallis fulva | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28024 | Rheum palmatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14304 | Physalis alkekengi | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15297 | Aconitum seravschanicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17018 | Salvia greggii | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12477 | Dodonaea viscosa | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7632 | Rheum tanguticum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11889 | Dendrobium chrysanthum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3854 | Ruta graveolens | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20490 | Erythrophleum ivorense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13754 | Tanacetum coccineum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20144 | Lespedeza tomentosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2228 | Photinia serratifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14014 | Eriocheir sinensis | Species | Varunidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20900 | Dendrobium chrysotoxum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29334 | Oplopanax elatus | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20881 | Rheum officinale | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8921 | Senna obtusifolia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7672 | Senna tora | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21691 | Dillenia indica | Species | Dilleniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26917 | Quercus rubra | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29776 | Cassia acutifolia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31520 | Polygonum multiflorum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7632 | Rheum tanguticum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20881 | Rheum officinale | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20490 | Erythrophleum ivorense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29334 | Oplopanax elatus | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO28024 | Rheum palmatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31579 | Artemisia capillaries | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29780 | Cassia mimosoides | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12477 | Dodonaea viscosa | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31136 | Cassia tora | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17774 | Hemerocallis fulva | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3854 | Ruta graveolens | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14014 | Eriocheir sinensis | Species | Varunidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7632 | Rheum tanguticum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7672 | Senna tora | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28024 | Rheum palmatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23332 | Dendrobium fimbriatum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8921 | Senna obtusifolia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17774 | Hemerocallis fulva | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29417 | Fallopia multiflora | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO88 | Rheum undulatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20881 | Rheum officinale | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11889 | Dendrobium chrysanthum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14304 | Physalis alkekengi | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20900 | Dendrobium chrysotoxum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO25238 | Rheum coreanum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2837 | Aloe spicata | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2188 | Dendrobium candidum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9448 | Dictyopteris australis | Species | Dictyotaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11889 | Dendrobium chrysanthum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13246 | Pinalia stricta | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21691 | Dillenia indica | Species | Dilleniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13716 | Aconitum tasiromontanum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21112 | Chaetomium carinthiacum | Species | Chaetomiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13237 | Teucrium yemense | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20753 | Grangea maderaspatana | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11580 | Onobrychis arenaria | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10359 | Chaiturus marrubiastrum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7632 | Rheum tanguticum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3214 | Lavandula vera | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20422 | Albizia myriophylla | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19671 | Dipsacus azureus | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20947 | Tagetes filifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20881 | Rheum officinale | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11749 | Eria mollis | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26393.1 | Petunia integrifolia subsp. inflata | Subspecies | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27737 | Penicillium shearii | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1501 | Senecio subdentatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20560 | Polyporus betulinus | Species | Polyporaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16142 | Verbascum thapsiforme | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17856 | Anaphalis lactea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20900 | Dendrobium chrysotoxum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22675 | Helichrysum chionosphaerum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12108 | Aizopsis selskiana | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12477 | Dodonaea viscosa | Species | Sapindaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25238 | Rheum coreanum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21376 | Lupinus corymbosus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14520 | Bassia muricata | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17494 | Prunella vulgaris | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14412 | Aphyllocladus denticulatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14217 | Adansonia grandidieri | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15422 | Carduus tenuiflorus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14304 | Physalis alkekengi | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10216 | Leptocereus quadricostatus | Species | Cactaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7819.1 | Epichloe festucae var. lolii | Varieties | Clavicipitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24407 | Bipolaris heveae | Species | Pleosporaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18144 | Metrodorea nigra | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19913 | Rhynchophorus ferrugineus | Species | Curculionidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11578 | Aloe vera | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13403 | Gadus morhua callarias | Species | Gadidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19996 | Caulerpa peltata | Species | Caulerpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14014 | Eriocheir sinensis | Species | Varunidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2188 | Dendrobium candidum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO986 | Rattus rattus | Species | Muridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20844 | Sphaerella rosigena | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20144 | Lespedeza tomentosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7672 | Senna tora | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14932.1 | Dalbergia lanceolaria subsp. paniculata | Subspecies | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26917 | Quercus rubra | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22526 | Justicia secunda | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28024 | Rheum palmatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23332 | Dendrobium fimbriatum | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2997 | Aloe africana | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12079 | Dysoxylum cumingianum | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14104 | Dendriopoterium menendezii | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17774 | Hemerocallis fulva | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13754 | Tanacetum coccineum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18867 | Stephanitis takeyai | Species | Tingidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20353 | Degenia velebitica | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8386 | Enceliopsis argophylla | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29334 | Oplopanax elatus | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21564 | Senecio behnii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19395 | Nepeta granatensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19512 | Gleichenia quadripartita | Species | Gleicheniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4345 | Caulocystis cephalornithos | Species | Sargassaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13421 | Sphaerella laricina | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19818 | Jacquemontia paniculata | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21244 | Delphinium nuttallianum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2228 | Photinia serratifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16572 | Rhododendron dahuricum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2198 | Rivularia firma | Species | Rivulariaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17018 | Salvia greggii | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20490 | Erythrophleum ivorense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10688 | Flacourtia jangomas | Species | Salicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16590 | Cytophaga hutchinsoni | Species | Cytophagaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18287 | Penicillium bilaiae | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13454 | Amphorogyne spicata | Species | Amphorogynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8921 | Senna obtusifolia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20223 | Rosa pomifera | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO624 | Isaria fumosorosea | Species | Cordycipitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14800 | Oophaga granulifera | Species | Dendrobatidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9752 | Miliusa velutina | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20625 | Delphinium virgatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17568 | Balanophora laxiflora | Species | Balanophoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2631 | Aster sedifolius | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3894 | Dendrobium nobile | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO88 | Rheum undulatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13523 | Neobalanocarpus heimii | Species | Dipterocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19232 | Anchusa azurea | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14763 | Aloe ferox | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14248 | Mandragora autumnalis | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19037 | Senecio praecox | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11391 | Polygonum cuspidatum | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15297 | Aconitum seravschanicum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12252 | Psychotria stachyoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17336 | Benincasa hispida | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Organism ID | NP ID | Organism Material Preparation | Organism Part | NP Quantity (Standard) | NP Quantity (Minimum) | NP Quantity (Maximum) | Quantity Unit | Reference |
---|
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT278 | Individual Protein | Cathepsin G | Homo sapiens | Inhibition | = | 22.0 | % | PMID[537606] |
NPT306 | Cell Line | PC-3 | Homo sapiens | Inhibition | = | 54.2 | % | PMID[537608] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 13000.0 | nM | PMID[537611] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 12300.0 | nM | PMID[537611] |
NPT1338 | Individual Protein | Sialidase 2 | Homo sapiens | IC50 | = | 130000.0 | nM | PMID[537613] |
NPT347 | Cell Line | Lymphoblastoid cells | Homo sapiens | Potency | = | 39810.7 | nM | PMID[537614] |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 12589.3 | nM | PMID[537616] |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 12589.3 | nM | PMID[537616] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 3162.3 | nM | PMID[537615] |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 28183.8 | nM | PMID[537616] |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 14125.4 | nM | PMID[537615] |
NPT347 | Cell Line | Lymphoblastoid cells | Homo sapiens | Potency | = | 79432.8 | nM | PMID[537614] |
NPT2570 | Individual Protein | Protein-tyrosine phosphatase LC-PTP | Homo sapiens | IC50 | = | 19620.0 | nM | PMID[537616] |
NPT347 | Cell Line | Lymphoblastoid cells | Homo sapiens | Potency | = | 50118.7 | nM | PMID[537614] |
NPT1226 | Individual Protein | Caspase-7 | Homo sapiens | Potency | = | 25118.9 | nM | PMID[537616] |
NPT277 | Individual Protein | Caspase-1 | Homo sapiens | Potency | = | 15848.9 | nM | PMID[537616] |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 15848.9 | nM | PMID[537614] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | = | 501.2 | nM | PMID[537615] |
NPT347 | Cell Line | Lymphoblastoid cells | Homo sapiens | Potency | = | 63095.7 | nM | PMID[537614] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 17782.8 | nM | PMID[537615] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 10000.0 | nM | PMID[537616] |
NPT46 | Individual Protein | Thyroid hormone receptor beta-1 | Homo sapiens | Potency | = | 28183.8 | nM | PMID[537615] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 35481.3 | nM | PMID[537614] |
NPT211 | Individual Protein | Hypoxia-inducible factor 1 alpha | Homo sapiens | Potency | = | 12589.3 | nM | PMID[537616] |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 56234.1 | nM | PMID[537615] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 35481.3 | nM | PMID[537615] |
NPT1119 | Individual Protein | Arachidonate 12-lipoxygenase | Homo sapiens | Potency | = | 15848.9 | nM | PMID[537616] |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 22334.2 | nM | PMID[537615] |
NPT277 | Individual Protein | Caspase-1 | Homo sapiens | Potency | = | 25118.9 | nM | PMID[537616] |
NPT56 | Individual Protein | Beta-lactamase AmpC | Escherichia coli K-12 | Potency | = | 79432.8 | nM | PMID[537616] |
NPT277 | Individual Protein | Caspase-1 | Homo sapiens | Potency | = | 31622.8 | nM | PMID[537616] |
NPT151 | Individual Protein | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Homo sapiens | Potency | = | 35481.3 | nM | PMID[537616] |
NPT277 | Individual Protein | Caspase-1 | Homo sapiens | Potency | = | 39810.7 | nM | PMID[537616] |
NPT59 | Individual Protein | DNA polymerase beta | Homo sapiens | Potency | = | 11220.2 | nM | PMID[537616] |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 35481.3 | nM | PMID[537615] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 28183.8 | nM | PMID[537614] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 10000.0 | nM | PMID[537614] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 125892.5 | nM | PMID[537615] |
NPT3022 | Individual Protein | Thioredoxin reductase 2, mitochondrial | Rattus norvegicus | IC50 | = | 123000.0 | nM | PMID[537617] |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | n.a. | 56234.1 | nM | PMID[537616] |
NPT1005 | Individual Protein | Tumor susceptibility gene 101 protein | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[537616] |
NPT5718 | Individual Protein | Plectin | Homo sapiens | IC50 | = | 155815.3 | nM | PMID[537616] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[537616] |
NPT63 | Individual Protein | Bromodomain adjacent to zinc finger domain protein 2B | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[537616] |
NPT1139 | Individual Protein | Arachidonate 15-lipoxygenase, type II | Homo sapiens | Potency | n.a. | 25118.9 | nM | PMID[537616] |
NPT5718 | Individual Protein | Plectin | Homo sapiens | IC50 | > | 200000.0 | nM | PMID[537616] |
NPT5718 | Individual Protein | Plectin | Homo sapiens | IC50 | = | 32104.8 | nM | PMID[537616] |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Potency | n.a. | 10000.0 | nM | PMID[537614] |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | n.a. | 28183.8 | nM | PMID[537616] |
NPT540 | Individual Protein | Bile acid receptor FXR | Homo sapiens | Potency | n.a. | 28183.8 | nM | PMID[537614] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Potency | n.a. | 11220.2 | nM | PMID[537616] |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | n.a. | 794.3 | nM | PMID[537618] |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | n.a. | 3162.3 | nM | PMID[537614] |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[537616] |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | n.a. | 25118.9 | nM | PMID[537614] |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | n.a. | 15848.9 | nM | PMID[537616] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 25118.9 | nM | PMID[537614] |
NPT540 | Individual Protein | Bile acid receptor FXR | Homo sapiens | Potency | n.a. | 11220.2 | nM | PMID[537614] |
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[537614] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 29092.9 | nM | PMID[537616] |
NPT1251 | Individual Protein | Mitochondrial peptide methionine sulfoxide reductase | Bos taurus | IC50 | n.a. | 155058.0 | nM | PMID[537616] |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | n.a. | 33491.5 | nM | PMID[537614] |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | n.a. | 22387.2 | nM | PMID[537616] |
NPT102 | Individual Protein | Interleukin-8 | Homo sapiens | Potency | n.a. | 74978.0 | nM | PMID[537614] |
NPT1417 | Individual Protein | Transcriptional regulator ERG | Homo sapiens | Potency | n.a. | 14125.4 | nM | PMID[537616] |
NPT103 | Individual Protein | Nuclear receptor ROR-gamma | Homo sapiens | Potency | n.a. | 37578.0 | nM | PMID[537614] |
NPT1005 | Individual Protein | Tumor susceptibility gene 101 protein | Homo sapiens | Potency | n.a. | 36587.9 | nM | PMID[537616] |
NPT2749 | Individual Protein | Acetylcholinesterase | Rattus norvegicus | Inhibition | < | 10.0 | % | PMID[537623] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 29092.9 | nM | PMID[537616] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 18356.4 | nM | PMID[537616] |
NPT737 | Cell Line | HUVEC | Homo sapiens | IC50 | = | 89740.0 | nM | PMID[537625] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 100000.0 | nM | PMID[537625] |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 100000.0 | nM | PMID[537625] |
NPT3887 | Cell Line | CNE | Homo sapiens | IC50 | > | 100000.0 | nM | PMID[537625] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 100000.0 | nM | PMID[537625] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 135000.0 | nM | PMID[537625] |
NPT1310 | Individual Protein | Xanthine dehydrogenase | Bos taurus | Inhibition | = | 3.63 | % | PMID[537626] |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | n.a. | 47443.6 | nM | PMID[537616] |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[537616] |
NPT105 | Individual Protein | Muscleblind-like protein 1 | Homo sapiens | Potency | n.a. | 2511.9 | nM | PMID[537616] |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | n.a. | 35481.3 | nM | PMID[537614] |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[537616] |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | n.a. | 316.2 | nM | PMID[537615] |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | > | 10000.0 | nM | PMID[537628] |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | = | 17000.0 | nM | PMID[537628] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Inhibition | = | 40.8 | % | PMID[537628] |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 92200.0 | nM | PMID[537629] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 95800.0 | nM | PMID[537629] |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | IC50 | = | 637.0 | nM | PMID[537633] |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | > | 10000.0 | nM | PMID[537633] |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | = | 17000.0 | nM | PMID[537633] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 100800.0 | nM | PMID[537634] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 115700.0 | nM | PMID[537634] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 120400.0 | nM | PMID[537634] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 105700.0 | nM | PMID[537634] |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | = | 120270.0 | nM | PMID[537634] |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | = | 136190.0 | nM | PMID[537634] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 80000.0 | nM | PMID[537634] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 100000.0 | nM | PMID[537634] |
NPT2422 | Cell Line | SCC-4 | Homo sapiens | IC50 | = | 58000.0 | nM | PMID[537634] |
NPT515 | Cell Line | SGC-7901 | Homo sapiens | IC50 | = | 150000.0 | nM | PMID[537634] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 710000.0 | nM | PMID[537634] |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | = | 110000.0 | nM | PMID[537634] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 130000.0 | nM | PMID[537634] |
NPT496 | Individual Protein | Alpha-L-fucosidase 1 | Bos taurus | IC50 | = | 32000.0 | nM | PMID[537642] |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | n.a. | 25056 | nM | PubChem BioAssay data set |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | n.a. | 11287.5 | nM | PubChem BioAssay data set |
NPT35 | Others | n.a. | LogP | = | 2.37 | n.a. | PMID[537604] | |
NPT2 | Others | Unspecified | Inhibition | = | 3.0 | % | PMID[537605] | |
NPT544 | Protein Family | Estrogen receptor | Homo sapiens | Control | = | 96.0 | % | PMID[537607] |
NPT544 | Protein Family | Estrogen receptor | Homo sapiens | Control | = | 97.3 | % | PMID[537607] |
NPT544 | Protein Family | Estrogen receptor | Homo sapiens | Control | = | 99.5 | % | PMID[537607] |
NPT637 | Organism | Fusarium oxysporum | Fusarium oxysporum | Inhibition | = | 39.75 | % | PMID[537608] |
NPT1276 | Organism | Gibberella zeae | Gibberella zeae | Inhibition | = | 33.39 | % | PMID[537608] |
NPT825 | Organism | Phytophthora infestans | Phytophthora infestans | Inhibition | = | 39.51 | % | PMID[537608] |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | MIC | = | 10.0 | ug.mL-1 | PMID[537609] |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | Inhibition | = | 75.2 | % | PMID[537609] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 0.25 | mg/ml | PMID[537610] |
NPT2 | Others | Unspecified | Ratio IC50 | = | 9.3 | n.a. | PMID[537613] | |
NPT2 | Others | Unspecified | IC50 | = | 14000.0 | nM | PMID[537613] | |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 39810.7 | nM | PMID[537615] |
NPT2 | Others | Unspecified | Potency | = | 7943.3 | nM | PMID[537615] | |
NPT2264 | Protein Family | Heat shock protein HSP90 | Homo sapiens | IC50 | = | 3339.3 | nM | PMID[537616] |
NPT93 | Individual Protein | Survival motor neuron protein | Homo sapiens | Potency | = | 2818.4 | nM | PMID[537616] |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 28183.8 | nM | PMID[537615] |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 39810.7 | nM | PMID[537614] |
NPT795 | Individual Protein | Zinc finger protein mex-5 | Caenorhabditis elegans | EC50 | = | 21569.0 | nM | PMID[537616] |
NPT2 | Others | Unspecified | EC50 | > | 110000.0 | nM | PMID[537616] | |
NPT2 | Others | Unspecified | EC50 | = | 5190.0 | nM | PMID[537616] | |
NPT2 | Others | Unspecified | EC50 | = | 19800.0 | nM | PMID[537616] | |
NPT792 | Individual Protein | Arachidonate 15-lipoxygenase | Homo sapiens | Potency | = | 12589.3 | nM | PMID[537616] |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 12589.3 | nM | PMID[537615] |
NPT797 | Individual Protein | Cytoplasmic zinc-finger protein | Caenorhabditis elegans | EC50 | = | 29176.0 | nM | PMID[537616] |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | IC50 | = | 84000.0 | nM | PMID[537617] |
NPT2 | Others | Unspecified | Potency | n.a. | 8199.5 | nM | PMID[537616] | |
NPT2 | Others | Unspecified | Potency | n.a. | 1835.6 | nM | PMID[537616] | |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[537616] |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[537616] |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | n.a. | 100000.0 | nM | PMID[537616] |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[537616] |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[537616] | |
NPT99 | Individual Protein | Peroxisome proliferator-activated receptor gamma | Homo sapiens | Potency | n.a. | 2511.9 | nM | PMID[537614] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | T1/2 | = | 2.771 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Tmax | = | 2.917 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Cmax | = | 0.291 | ug.mL-1 | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | AUC | = | 1178.0 | ng.hr.mL-1 | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | AUC | = | 1394.0 | ng.hr.mL-1 | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | MRT | = | 4.291 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | MRT | = | 5.699 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | T1/2 | = | 1.239 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Tmax | = | 2.035 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Cmax | = | 0.432 | ug.mL-1 | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | AUC | = | 1166.0 | ng.hr.mL-1 | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | AUC | = | 1379.0 | ng.hr.mL-1 | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | MRT | = | 2.918 | hr | PMID[537619] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | MRT | = | 3.782 | hr | PMID[537619] |
NPT2 | Others | Unspecified | Potency | n.a. | 28183.8 | nM | PMID[537616] | |
NPT2 | Others | Unspecified | Potency | n.a. | 5308.0 | nM | PMID[537614] | |
NPT821 | Individual Protein | Werner syndrome ATP-dependent helicase | Homo sapiens | Potency | n.a. | 26679.5 | nM | PMID[537616] |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | n.a. | 15848.9 | nM | PMID[537616] |
NPT2 | Others | Unspecified | Potency | n.a. | 8412.7 | nM | PMID[537614] | |
NPT35 | Others | n.a. | LogP | = | 0.2402 | n.a. | PMID[537620] | |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | LC50 | = | 606.5 | ppm | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | mortality | = | 67.5 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | mortality | = | 50.0 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | mortality | = | 32.5 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | mortality | = | 22.5 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | AFI | = | 56.79 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | AFI | = | 40.85 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | AFI | = | 33.05 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | AFI | = | 27.28 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | AFI | = | 76.13 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | AFI | = | 59.98 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | AFI | = | 55.06 | % | PMID[537622] |
NPT3915 | Organism | Helicoverpa armigera | Helicoverpa armigera | AFI | = | 47.82 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | LC50 | = | 1192.55 | ppm | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | mortality | = | 36.25 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | mortality | = | 21.25 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | mortality | = | 15.0 | % | PMID[537622] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | mortality | = | 0.0 | % | PMID[537622] |
NPT2 | Others | Unspecified | Potency | n.a. | 18356.4 | nM | PMID[537616] | |
NPT861 | Individual Protein | Isocitrate dehydrogenase [NADP] cytoplasmic | Homo sapiens | Potency | n.a. | 25929.0 | nM | PMID[537616] |
NPT1514 | Uncleic Acid | DNA | Bos taurus | Delta Tm | = | 2.0 | degrees C | PMID[537625] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 28310.0 | nM | PMID[537625] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 62500.0 | nM | PMID[537625] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 27282.4 | nM | PMID[537627] |
NPT2 | Others | Unspecified | Potency | n.a. | 17782.8 | nM | PMID[537616] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 21671.2 | nM | PMID[537627] |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | n.a. | 75686.3 | nM | PMID[537616] |
NPT610 | Others | Molecular identity unknown | Potency | n.a. | 35481.3 | nM | PMID[537614] | |
NPT831 | Individual Protein | Serine/threonine-protein kinase PLK1 | Homo sapiens | Potency | n.a. | 21192.3 | nM | PMID[537616] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 24315.5 | nM | PMID[537627] |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[537618] | |
NPT707 | Individual Protein | NAD-dependent protein deacylase sirtuin-5, mitochondrial | Homo sapiens | AC50 | > | 30000.0 | nM | PMID[537616] |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | n.a. | 4256.2 | nM | PMID[537616] |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | n.a. | 67015.8 | nM | PMID[537616] |
NPT35 | Others | n.a. | permeability | = | 2.7 | ucm/s | PMID[537628] | |
NPT78 | Individual Protein | Beta amyloid A4 protein | Homo sapiens | Inhibition | = | 49.9 | % | PMID[537628] |
NPT2 | Others | Unspecified | Potency | n.a. | 39810.7 | nM | PMID[537616] | |
NPT2 | Others | Unspecified | Inhibition | = | 47.0 | % | PMID[537631] | |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 97.0 | % | PMID[537631] |
NPT35 | Others | n.a. | Solubility | = | 45.6 | ug.mL-1 | PMID[537634] | |
NPT2 | Others | Unspecified | IC50 | = | 140000.0 | nM | PMID[537634] | |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 65.52 | % | PMID[537635] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -6.58 | % | PMID[537636] |
NPT20556 | SINGLE PROTEIN | Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 23.71 | % | PMID[537638] |
NPT20556 | SINGLE PROTEIN | Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -6.089 | % | PMID[537639] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -0.16 | % | PMID[537640] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -0.06 | % | PMID[537641] |
NPT2 | Others | Unspecified | IC50 | = | 5680.0 | nM | PMID[537642] | |
NPT2 | Others | Unspecified | IC50 | = | 26430.0 | nM | PMID[537642] | |
NPT24816 | SINGLE PROTEIN | Alpha-mannosidase | Canavalia ensiformis | Inhibition | < | 50.0 | % | PMID[537642] |
NPT2 | Others | Unspecified | Potency | n.a. | 5042 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 39711.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 4.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 19902.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 2505.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 35481.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 63474.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 15944.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 44556.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 12557.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 4493.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 12664.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 56093.4 | nM | PubChem BioAssay data set | |
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | n.a. | 11287.5 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | n.a. | 11287.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 20072.4 | nM | PubChem BioAssay data set |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC288089 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.9474 | High Similarity | NPC26924 |
0.9403 | High Similarity | NPC315578 |
0.9385 | High Similarity | NPC70622 |
0.9375 | High Similarity | NPC282923 |
0.9333 | High Similarity | NPC290550 |
0.9313 | High Similarity | NPC115458 |
0.9308 | High Similarity | NPC205992 |
0.9291 | High Similarity | NPC103540 |
0.9254 | High Similarity | NPC4214 |
0.9248 | High Similarity | NPC272268 |
0.9231 | High Similarity | NPC199253 |
0.9231 | High Similarity | NPC136588 |
0.9173 | High Similarity | NPC161632 |
0.9154 | High Similarity | NPC99731 |
0.9134 | High Similarity | NPC375356 |
0.9118 | High Similarity | NPC183345 |
0.9111 | High Similarity | NPC13715 |
0.907 | High Similarity | NPC96915 |
0.9062 | High Similarity | NPC173978 |
0.9062 | High Similarity | NPC142956 |
0.9055 | High Similarity | NPC300274 |
0.903 | High Similarity | NPC80035 |
0.9023 | High Similarity | NPC52407 |
0.8978 | High Similarity | NPC96421 |
0.8978 | High Similarity | NPC225243 |
0.8963 | High Similarity | NPC474813 |
0.8963 | High Similarity | NPC472308 |
0.8939 | High Similarity | NPC31799 |
0.8939 | High Similarity | NPC31539 |
0.8931 | High Similarity | NPC48248 |
0.8923 | High Similarity | NPC3224 |
0.8921 | High Similarity | NPC66593 |
0.8897 | High Similarity | NPC53414 |
0.8897 | High Similarity | NPC245923 |
0.8897 | High Similarity | NPC53206 |
0.8889 | High Similarity | NPC283088 |
0.8881 | High Similarity | NPC225051 |
0.8881 | High Similarity | NPC53896 |
0.8881 | High Similarity | NPC315520 |
0.8873 | High Similarity | NPC471907 |
0.8865 | High Similarity | NPC147250 |
0.8864 | High Similarity | NPC146647 |
0.8864 | High Similarity | NPC34414 |
0.8849 | High Similarity | NPC193555 |
0.8849 | High Similarity | NPC73061 |
0.8832 | High Similarity | NPC61398 |
0.8832 | High Similarity | NPC416 |
0.8824 | High Similarity | NPC155211 |
0.8824 | High Similarity | NPC254847 |
0.8815 | High Similarity | NPC44437 |
0.8806 | High Similarity | NPC58685 |
0.8803 | High Similarity | NPC119767 |
0.8797 | High Similarity | NPC55949 |
0.8788 | High Similarity | NPC95537 |
0.8779 | High Similarity | NPC231774 |
0.8769 | High Similarity | NPC236189 |
0.8768 | High Similarity | NPC190457 |
0.8768 | High Similarity | NPC242994 |
0.8768 | High Similarity | NPC143438 |
0.8768 | High Similarity | NPC138099 |
0.876 | High Similarity | NPC307174 |
0.8759 | High Similarity | NPC471905 |
0.8759 | High Similarity | NPC471452 |
0.8741 | High Similarity | NPC314048 |
0.8732 | High Similarity | NPC314437 |
0.8731 | High Similarity | NPC17083 |
0.8722 | High Similarity | NPC278928 |
0.8714 | High Similarity | NPC257644 |
0.8705 | High Similarity | NPC169452 |
0.8705 | High Similarity | NPC181560 |
0.8676 | High Similarity | NPC50924 |
0.8652 | High Similarity | NPC471682 |
0.8643 | High Similarity | NPC124365 |
0.8633 | High Similarity | NPC1268 |
0.8626 | High Similarity | NPC310540 |
0.8623 | High Similarity | NPC305060 |
0.8623 | High Similarity | NPC62272 |
0.8623 | High Similarity | NPC147418 |
0.8615 | High Similarity | NPC91478 |
0.8613 | High Similarity | NPC258502 |
0.8603 | High Similarity | NPC48036 |
0.8603 | High Similarity | NPC267205 |
0.8603 | High Similarity | NPC254603 |
0.8603 | High Similarity | NPC294226 |
0.8593 | High Similarity | NPC244699 |
0.8593 | High Similarity | NPC93015 |
0.8593 | High Similarity | NPC474517 |
0.8593 | High Similarity | NPC72669 |
0.8582 | High Similarity | NPC239136 |
0.8582 | High Similarity | NPC474300 |
0.8582 | High Similarity | NPC19631 |
0.8581 | High Similarity | NPC474861 |
0.8551 | High Similarity | NPC193358 |
0.8551 | High Similarity | NPC141934 |
0.8551 | High Similarity | NPC118919 |
0.855 | High Similarity | NPC275145 |
0.854 | High Similarity | NPC287604 |
0.854 | High Similarity | NPC161964 |
0.854 | High Similarity | NPC472262 |
0.8538 | High Similarity | NPC120545 |
0.8531 | High Similarity | NPC471683 |
0.8529 | High Similarity | NPC309430 |
0.8527 | High Similarity | NPC285829 |
0.8527 | High Similarity | NPC206778 |
0.8521 | High Similarity | NPC476473 |
0.8519 | High Similarity | NPC198305 |
0.8511 | High Similarity | NPC305845 |
0.8511 | High Similarity | NPC204045 |
0.8511 | High Similarity | NPC246638 |
0.8504 | High Similarity | NPC158157 |
0.8496 | Intermediate Similarity | NPC160499 |
0.8496 | Intermediate Similarity | NPC1991 |
0.8496 | Intermediate Similarity | NPC306765 |
0.8493 | Intermediate Similarity | NPC205766 |
0.8485 | Intermediate Similarity | NPC68756 |
0.8485 | Intermediate Similarity | NPC152525 |
0.8478 | Intermediate Similarity | NPC72918 |
0.8473 | Intermediate Similarity | NPC283514 |
0.8472 | Intermediate Similarity | NPC300540 |
0.8462 | Intermediate Similarity | NPC244691 |
0.8462 | Intermediate Similarity | NPC79627 |
0.8462 | Intermediate Similarity | NPC471906 |
0.8462 | Intermediate Similarity | NPC21599 |
0.8462 | Intermediate Similarity | NPC193703 |
0.8451 | Intermediate Similarity | NPC135524 |
0.8446 | Intermediate Similarity | NPC218870 |
0.8446 | Intermediate Similarity | NPC470408 |
0.8446 | Intermediate Similarity | NPC474824 |
0.8446 | Intermediate Similarity | NPC182921 |
0.844 | Intermediate Similarity | NPC203063 |
0.8429 | Intermediate Similarity | NPC61590 |
0.8425 | Intermediate Similarity | NPC70764 |
0.8417 | Intermediate Similarity | NPC191976 |
0.8417 | Intermediate Similarity | NPC474311 |
0.8417 | Intermediate Similarity | NPC86524 |
0.8417 | Intermediate Similarity | NPC315275 |
0.8406 | Intermediate Similarity | NPC282780 |
0.8406 | Intermediate Similarity | NPC166480 |
0.8406 | Intermediate Similarity | NPC12070 |
0.8397 | Intermediate Similarity | NPC198336 |
0.8394 | Intermediate Similarity | NPC242358 |
0.8394 | Intermediate Similarity | NPC246693 |
0.8394 | Intermediate Similarity | NPC110609 |
0.8392 | Intermediate Similarity | NPC238629 |
0.8389 | Intermediate Similarity | NPC66029 |
0.8389 | Intermediate Similarity | NPC318270 |
0.8382 | Intermediate Similarity | NPC475741 |
0.838 | Intermediate Similarity | NPC477275 |
0.837 | Intermediate Similarity | NPC237225 |
0.8369 | Intermediate Similarity | NPC306835 |
0.8369 | Intermediate Similarity | NPC476477 |
0.8369 | Intermediate Similarity | NPC256463 |
0.8369 | Intermediate Similarity | NPC299405 |
0.8369 | Intermediate Similarity | NPC295339 |
0.8369 | Intermediate Similarity | NPC111422 |
0.8369 | Intermediate Similarity | NPC471602 |
0.8369 | Intermediate Similarity | NPC216312 |
0.8369 | Intermediate Similarity | NPC29771 |
0.8359 | Intermediate Similarity | NPC108288 |
0.8358 | Intermediate Similarity | NPC473751 |
0.8346 | Intermediate Similarity | NPC234890 |
0.8346 | Intermediate Similarity | NPC74507 |
0.8345 | Intermediate Similarity | NPC249272 |
0.8333 | Intermediate Similarity | NPC297193 |
0.8333 | Intermediate Similarity | NPC244351 |
0.8333 | Intermediate Similarity | NPC193169 |
0.8333 | Intermediate Similarity | NPC114183 |
0.8333 | Intermediate Similarity | NPC48762 |
0.8333 | Intermediate Similarity | NPC171968 |
0.8322 | Intermediate Similarity | NPC469520 |
0.8322 | Intermediate Similarity | NPC474961 |
0.8322 | Intermediate Similarity | NPC69755 |
0.8321 | Intermediate Similarity | NPC472046 |
0.831 | Intermediate Similarity | NPC327916 |
0.831 | Intermediate Similarity | NPC32749 |
0.831 | Intermediate Similarity | NPC147542 |
0.831 | Intermediate Similarity | NPC37992 |
0.831 | Intermediate Similarity | NPC241349 |
0.831 | Intermediate Similarity | NPC42262 |
0.831 | Intermediate Similarity | NPC220496 |
0.8308 | Intermediate Similarity | NPC232178 |
0.8296 | Intermediate Similarity | NPC471530 |
0.8288 | Intermediate Similarity | NPC37709 |
0.8281 | Intermediate Similarity | NPC161304 |
0.8278 | Intermediate Similarity | NPC317580 |
0.8278 | Intermediate Similarity | NPC197326 |
0.8278 | Intermediate Similarity | NPC263483 |
0.8276 | Intermediate Similarity | NPC34482 |
0.8273 | Intermediate Similarity | NPC1249 |
0.8273 | Intermediate Similarity | NPC270899 |
0.8271 | Intermediate Similarity | NPC477153 |
0.8264 | Intermediate Similarity | NPC53016 |
0.8252 | Intermediate Similarity | NPC471444 |
0.8252 | Intermediate Similarity | NPC257003 |
0.8252 | Intermediate Similarity | NPC187843 |
0.8248 | Intermediate Similarity | NPC108129 |
0.8244 | Intermediate Similarity | NPC473662 |
0.8244 | Intermediate Similarity | NPC216297 |
0.8244 | Intermediate Similarity | NPC7151 |
0.8239 | Intermediate Similarity | NPC103337 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC288089 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.9291 | High Similarity | NPD1470 | Approved |
0.8976 | High Similarity | NPD1201 | Approved |
0.8824 | High Similarity | NPD1509 | Clinical (unspecified phase) |
0.8811 | High Similarity | NPD3226 | Approved |
0.8623 | High Similarity | NPD5406 | Approved |
0.8623 | High Similarity | NPD5408 | Approved |
0.8623 | High Similarity | NPD5404 | Approved |
0.8623 | High Similarity | NPD5405 | Approved |
0.8359 | Intermediate Similarity | NPD405 | Clinical (unspecified phase) |
0.8298 | Intermediate Similarity | NPD2346 | Discontinued |
0.8082 | Intermediate Similarity | NPD7390 | Discontinued |
0.8015 | Intermediate Similarity | NPD1164 | Approved |
0.7872 | Intermediate Similarity | NPD943 | Approved |
0.7857 | Intermediate Similarity | NPD2313 | Discontinued |
0.7857 | Intermediate Similarity | NPD3764 | Approved |
0.7834 | Intermediate Similarity | NPD6232 | Discontinued |
0.7799 | Intermediate Similarity | NPD7473 | Discontinued |
0.7785 | Intermediate Similarity | NPD7422 | Clinical (unspecified phase) |
0.7724 | Intermediate Similarity | NPD2935 | Discontinued |
0.7655 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7652 | Intermediate Similarity | NPD5951 | Approved |
0.7651 | Intermediate Similarity | NPD3300 | Phase 2 |
0.7597 | Intermediate Similarity | NPD9266 | Approved |
0.7597 | Intermediate Similarity | NPD74 | Approved |
0.7568 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.7534 | Intermediate Similarity | NPD2799 | Discontinued |
0.7519 | Intermediate Similarity | NPD9264 | Approved |
0.7519 | Intermediate Similarity | NPD9267 | Approved |
0.7519 | Intermediate Similarity | NPD9263 | Approved |
0.75 | Intermediate Similarity | NPD7819 | Suspended |
0.7434 | Intermediate Similarity | NPD2534 | Approved |
0.7434 | Intermediate Similarity | NPD2533 | Approved |
0.7434 | Intermediate Similarity | NPD2532 | Approved |
0.7415 | Intermediate Similarity | NPD3299 | Clinical (unspecified phase) |
0.7415 | Intermediate Similarity | NPD1510 | Phase 2 |
0.7407 | Intermediate Similarity | NPD9493 | Approved |
0.74 | Intermediate Similarity | NPD3750 | Approved |
0.74 | Intermediate Similarity | NPD7003 | Approved |
0.7397 | Intermediate Similarity | NPD1607 | Approved |
0.7385 | Intermediate Similarity | NPD2342 | Discontinued |
0.7385 | Intermediate Similarity | NPD9265 | Clinical (unspecified phase) |
0.7383 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.7376 | Intermediate Similarity | NPD1203 | Approved |
0.7372 | Intermediate Similarity | NPD7411 | Suspended |
0.7365 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7365 | Intermediate Similarity | NPD8312 | Approved |
0.7365 | Intermediate Similarity | NPD8313 | Approved |
0.7358 | Intermediate Similarity | NPD3749 | Approved |
0.7355 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7337 | Intermediate Similarity | NPD8150 | Discontinued |
0.7324 | Intermediate Similarity | NPD2798 | Approved |
0.7319 | Intermediate Similarity | NPD7163 | Clinical (unspecified phase) |
0.7319 | Intermediate Similarity | NPD3019 | Approved |
0.7315 | Intermediate Similarity | NPD1471 | Phase 3 |
0.7305 | Intermediate Similarity | NPD1283 | Approved |
0.7267 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.726 | Intermediate Similarity | NPD1240 | Approved |
0.7259 | Intermediate Similarity | NPD9281 | Approved |
0.7251 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7222 | Intermediate Similarity | NPD6959 | Discontinued |
0.7209 | Intermediate Similarity | NPD9261 | Approved |
0.7208 | Intermediate Similarity | NPD4378 | Clinical (unspecified phase) |
0.72 | Intermediate Similarity | NPD2344 | Approved |
0.7195 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.7194 | Intermediate Similarity | NPD2932 | Approved |
0.7171 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7163 | Intermediate Similarity | NPD9269 | Phase 2 |
0.7152 | Intermediate Similarity | NPD1549 | Phase 2 |
0.7143 | Intermediate Similarity | NPD1511 | Approved |
0.7134 | Intermediate Similarity | NPD7458 | Discontinued |
0.7132 | Intermediate Similarity | NPD1932 | Approved |
0.7125 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.7123 | Intermediate Similarity | NPD411 | Approved |
0.7123 | Intermediate Similarity | NPD3268 | Approved |
0.7122 | Intermediate Similarity | NPD4196 | Clinical (unspecified phase) |
0.7122 | Intermediate Similarity | NPD9268 | Approved |
0.7111 | Intermediate Similarity | NPD7635 | Approved |
0.7097 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.7095 | Intermediate Similarity | NPD447 | Suspended |
0.7092 | Intermediate Similarity | NPD1281 | Approved |
0.7089 | Intermediate Similarity | NPD4380 | Phase 2 |
0.7086 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.7086 | Intermediate Similarity | NPD1552 | Clinical (unspecified phase) |
0.7086 | Intermediate Similarity | NPD1550 | Clinical (unspecified phase) |
0.7081 | Intermediate Similarity | NPD7768 | Phase 2 |
0.7077 | Intermediate Similarity | NPD1929 | Approved |
0.7077 | Intermediate Similarity | NPD1930 | Approved |
0.7077 | Intermediate Similarity | NPD1931 | Clinical (unspecified phase) |
0.7067 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7067 | Intermediate Similarity | NPD3748 | Approved |
0.7066 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7063 | Intermediate Similarity | NPD2393 | Clinical (unspecified phase) |
0.7055 | Intermediate Similarity | NPD5952 | Clinical (unspecified phase) |
0.7051 | Intermediate Similarity | NPD1512 | Approved |
0.705 | Intermediate Similarity | NPD9545 | Approved |
0.7042 | Intermediate Similarity | NPD9717 | Approved |
0.7042 | Intermediate Similarity | NPD1608 | Approved |
0.7037 | Intermediate Similarity | NPD7075 | Discontinued |
0.7013 | Intermediate Similarity | NPD2309 | Approved |
0.7006 | Intermediate Similarity | NPD7177 | Discontinued |
0.6972 | Remote Similarity | NPD1547 | Clinical (unspecified phase) |
0.6959 | Remote Similarity | NPD6663 | Approved |
0.6957 | Remote Similarity | NPD1465 | Phase 2 |
0.6957 | Remote Similarity | NPD7096 | Clinical (unspecified phase) |
0.695 | Remote Similarity | NPD4626 | Approved |
0.6948 | Remote Similarity | NPD8166 | Discontinued |
0.6948 | Remote Similarity | NPD4628 | Phase 3 |
0.6948 | Remote Similarity | NPD6398 | Clinical (unspecified phase) |
0.694 | Remote Similarity | NPD6831 | Clinical (unspecified phase) |
0.6939 | Remote Similarity | NPD7008 | Discontinued |
0.6923 | Remote Similarity | NPD4878 | Approved |
0.6918 | Remote Similarity | NPD5736 | Approved |
0.6914 | Remote Similarity | NPD5402 | Approved |
0.6901 | Remote Similarity | NPD3023 | Approved |
0.6901 | Remote Similarity | NPD3026 | Approved |
0.6897 | Remote Similarity | NPD3267 | Approved |
0.6897 | Remote Similarity | NPD3266 | Approved |
0.6894 | Remote Similarity | NPD1934 | Approved |
0.6893 | Remote Similarity | NPD6534 | Approved |
0.6893 | Remote Similarity | NPD6535 | Approved |
0.6879 | Remote Similarity | NPD3025 | Approved |
0.6879 | Remote Similarity | NPD1651 | Approved |
0.6879 | Remote Similarity | NPD3024 | Approved |
0.6879 | Remote Similarity | NPD7004 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD6599 | Discontinued |
0.6871 | Remote Similarity | NPD4868 | Clinical (unspecified phase) |
0.6868 | Remote Similarity | NPD7435 | Discontinued |
0.6867 | Remote Similarity | NPD5711 | Approved |
0.6867 | Remote Similarity | NPD1899 | Clinical (unspecified phase) |
0.6867 | Remote Similarity | NPD5710 | Approved |
0.6867 | Remote Similarity | NPD230 | Phase 1 |
0.6853 | Remote Similarity | NPD1611 | Approved |
0.6852 | Remote Similarity | NPD2801 | Approved |
0.6846 | Remote Similarity | NPD520 | Approved |
0.6842 | Remote Similarity | NPD6559 | Discontinued |
0.6839 | Remote Similarity | NPD3400 | Discontinued |
0.6836 | Remote Similarity | NPD6214 | Clinical (unspecified phase) |
0.6836 | Remote Similarity | NPD6213 | Phase 3 |
0.6836 | Remote Similarity | NPD6212 | Phase 3 |
0.6835 | Remote Similarity | NPD6273 | Approved |
0.6831 | Remote Similarity | NPD8320 | Phase 1 |
0.6831 | Remote Similarity | NPD17 | Approved |
0.6831 | Remote Similarity | NPD8319 | Approved |
0.6822 | Remote Similarity | NPD288 | Approved |
0.6815 | Remote Similarity | NPD2329 | Discontinued |
0.681 | Remote Similarity | NPD8438 | Clinical (unspecified phase) |
0.6805 | Remote Similarity | NPD7893 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD4307 | Phase 2 |
0.68 | Remote Similarity | NPD2979 | Phase 3 |
0.6797 | Remote Similarity | NPD688 | Clinical (unspecified phase) |
0.6796 | Remote Similarity | NPD6778 | Approved |
0.6796 | Remote Similarity | NPD6782 | Approved |
0.6796 | Remote Similarity | NPD6779 | Approved |
0.6796 | Remote Similarity | NPD6781 | Approved |
0.6796 | Remote Similarity | NPD6776 | Approved |
0.6796 | Remote Similarity | NPD6777 | Approved |
0.6796 | Remote Similarity | NPD6780 | Approved |
0.6795 | Remote Similarity | NPD6190 | Approved |
0.6792 | Remote Similarity | NPD920 | Approved |
0.679 | Remote Similarity | NPD6801 | Discontinued |
0.6781 | Remote Similarity | NPD2797 | Approved |
0.6778 | Remote Similarity | NPD7699 | Phase 2 |
0.6778 | Remote Similarity | NPD7700 | Phase 2 |
0.6774 | Remote Similarity | NPD1243 | Approved |
0.6774 | Remote Similarity | NPD2800 | Approved |
0.6772 | Remote Similarity | NPD642 | Clinical (unspecified phase) |
0.6767 | Remote Similarity | NPD164 | Approved |
0.6767 | Remote Similarity | NPD1237 | Approved |
0.6763 | Remote Similarity | NPD497 | Approved |
0.6757 | Remote Similarity | NPD6832 | Phase 2 |
0.6744 | Remote Similarity | NPD5031 | Approved |
0.6744 | Remote Similarity | NPD844 | Approved |
0.6744 | Remote Similarity | NPD5027 | Approved |
0.6744 | Remote Similarity | NPD5029 | Approved |
0.6735 | Remote Similarity | NPD6007 | Clinical (unspecified phase) |
0.6727 | Remote Similarity | NPD4381 | Clinical (unspecified phase) |
0.6719 | Remote Similarity | NPD1202 | Approved |
0.6718 | Remote Similarity | NPD2066 | Phase 3 |
0.6713 | Remote Similarity | NPD2286 | Discontinued |
0.6712 | Remote Similarity | NPD3225 | Approved |
0.6712 | Remote Similarity | NPD1876 | Approved |
0.6709 | Remote Similarity | NPD6799 | Approved |
0.6707 | Remote Similarity | NPD3817 | Phase 2 |
0.6706 | Remote Similarity | NPD3818 | Discontinued |
0.6691 | Remote Similarity | NPD498 | Approved |
0.6691 | Remote Similarity | NPD496 | Approved |
0.6691 | Remote Similarity | NPD495 | Approved |
0.669 | Remote Similarity | NPD3972 | Approved |
0.6688 | Remote Similarity | NPD6099 | Approved |
0.6688 | Remote Similarity | NPD6100 | Approved |
0.6688 | Remote Similarity | NPD2796 | Approved |
0.6687 | Remote Similarity | NPD5403 | Approved |
0.6686 | Remote Similarity | NPD5953 | Discontinued |
0.6685 | Remote Similarity | NPD7696 | Phase 3 |
0.6685 | Remote Similarity | NPD7697 | Approved |
0.6685 | Remote Similarity | NPD7698 | Approved |
0.6667 | Remote Similarity | NPD1699 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD1609 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD289 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5401 | Approved |
Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.