Molecular Weight:   | 314.08 |
Volume:   | 308.569 |
LogP:   | 3.505 |
LogD:   | 2.707 |
LogS:   | -3.751 |
# Rotatable Bonds:   | 3 |
TPSA:   | 89.13 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 6 |
QED Drug-Likeness Score:   | 0.772 |
Synthetic Accessibility Score:   | 2.276 |
Fsp3:   | 0.118 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 1 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.822 |
MDCK Permeability:   | 1.5418214388773777e-05 |
Pgp-inhibitor:   | 0.978 |
Pgp-substrate:   | 0.036 |
Human Intestinal Absorption (HIA):   | 0.015 |
20% Bioavailability (F20%):   | 0.005 |
30% Bioavailability (F30%):   | 0.778 |
Blood-Brain-Barrier Penetration (BBB):   | 0.007 |
Plasma Protein Binding (PPB):   | 94.0708236694336% |
Volume Distribution (VD):   | 0.628 |
Pgp-substrate:   | 10.226557731628418% |
CYP1A2-inhibitor:   | 0.961 |
CYP1A2-substrate:   | 0.944 |
CYP2C19-inhibitor:   | 0.787 |
CYP2C19-substrate:   | 0.083 |
CYP2C9-inhibitor:   | 0.817 |
CYP2C9-substrate:   | 0.908 |
CYP2D6-inhibitor:   | 0.62 |
CYP2D6-substrate:   | 0.89 |
CYP3A4-inhibitor:   | 0.548 |
CYP3A4-substrate:   | 0.242 |
Clearance (CL):   | 3.292 |
Half-life (T1/2):   | 0.537 |
hERG Blockers:   | 0.086 |
Human Hepatotoxicity (H-HT):   | 0.09 |
Drug-inuced Liver Injury (DILI):   | 0.93 |
AMES Toxicity:   | 0.575 |
Rat Oral Acute Toxicity:   | 0.066 |
Maximum Recommended Daily Dose:   | 0.2 |
Skin Sensitization:   | 0.819 |
Carcinogencity:   | 0.165 |
Eye Corrosion:   | 0.004 |
Eye Irritation:   | 0.842 |
Respiratory Toxicity:   | 0.524 |
Natural Product ID:   | NPC156222 |
Common Name*:   | Pectolinarigenin |
IUPAC Name:   | 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one |
Synonyms:   | NSC-106403 |
Standard InCHIKey:   | GPQLHGCIAUEJQK-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3 |
SMILES:   | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)OC)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL78010 |
PubChem CID:   |
5320438 |
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 |
---|---|---|---|---|---|---|---|---|
NPO22104 | Trifolium pratense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/S0031-9422(00)94679-X] |
NPO6987 | Tolypothrix byssoidea | Species | Tolypothrichaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[11429991] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | roots | Rat Buri Province, Thailand | 1988-DEC |
PMID[14987064] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | n.a. | root | n.a. |
PMID[16204992] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[16309325] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | Seoul, Korea | 2000-Jun |
PMID[16643034] |
NPO8524 | Pithecellobium clypearia | Species | Fabaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[16724853] |
NPO8524 | Pithecellobium clypearia | Species | Fabaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[16724853] |
NPO23838 | Kitasatospora kifunensis | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[17191679] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[17625893] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[18293924] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruit | n.a. | n.a. |
PMID[18505286] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19586051] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruit | n.a. | n.a. |
PMID[19650637] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | stems | n.a. | n.a. |
PMID[20095629] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20192247] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[21319773] |
NPO16660 | Phomopsis archeri | Species | Valsaceae | Eukaryota | n.a. | mycelium | n.a. |
PMID[21341709] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | whole plant | n.a. |
PMID[21428416] |
NPO20096 | Cirsium japonicum | Species | Asteraceae | Eukaryota | n.a. | whole plant | n.a. |
PMID[21899269] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[22445674] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22870812] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[23305920] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23435948] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[23623680] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25506718] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25590529] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[25735399] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25737008] |
NPO20874 | Tanacetum vulgare | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25924515] |
NPO41029 | Perovskia atriplicifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26035635] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27494664] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[28322565] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[28968119] |
NPO2440 | Schkuhria pinnata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29244495] |
NPO691 | Tarchonanthus camphoratus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29244495] |
NPO22104 | Trifolium pratense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30199256] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30917277] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32141747] |
NPO2733 | Sarcomelicope argyrophylla | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO17464 | Uncaria sessilifructus | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18920 | Hexalobus crispiflorus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22104 | Trifolium pratense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16620 | Malus asiatica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20096 | Cirsium japonicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO228 | Physostigma venenosum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5788 | Millingtonia hortensis | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19162 | Tsuga heterophylla | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17706 | Caragana tibetica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO30253 | Duranta repens | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20874 | Tanacetum vulgare | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10436 | Aristolochia maxima | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13856 | Bergenia purpurascens | Species | Saxifragaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO201 | Gmelina arborea | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17637 | Pimpinella saxifraga | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7527 | Isodon leucophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27886 | Dolichandrone stipulata | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2440 | Schkuhria pinnata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10436 | Aristolochia maxima | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19162 | Tsuga heterophylla | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17244 | Montrouziera sphaeroidea | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27886 | Dolichandrone stipulata | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13856 | Bergenia purpurascens | Species | Saxifragaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23795 | Herba seu radix cirsii japonici | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO228 | Physostigma venenosum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7527 | Isodon leucophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19689 | Radix cirsii japonici | Species | Lymnaeidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11186 | Duranta erecta | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17464 | Uncaria sessilifructus | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18920 | Hexalobus crispiflorus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5788 | Millingtonia hortensis | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20096 | Cirsium japonicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17637 | Pimpinella saxifraga | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8964 | Herba lagotidis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17706 | Caragana tibetica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25890 | Herba cirsii japonici | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22104 | Trifolium pratense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20874 | Tanacetum vulgare | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO201 | Gmelina arborea | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22104 | Trifolium pratense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20096 | Cirsium japonicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO27886 | Dolichandrone stipulata | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO30253 | Duranta repens | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO228 | Physostigma venenosum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5788 | Millingtonia hortensis | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO201 | Gmelina arborea | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1880 | Schizonepeta tenuisfolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20096 | Cirsium japonicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19005 | Engleromyces goetzei | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8231 | Jaspis digonoxea | Species | Ancorinidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17029 | Tridacna gigas | Species | Tridacnidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO228 | Physostigma venenosum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8719 | Fusarium vasinfectum | Species | Nectriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10826 | Rabdosia weisiensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11437 | Alluaudia ascendens | Species | Didiereaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16510 | Ganoderma australe | Species | Ganodermataceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18835 | Aloe nobilis | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7566 | Ptelea viscosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1148 | Phalium undulatum | Species | Cassidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29268 | Phyllanthus simplex | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7527 | Isodon leucophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13706 | Barleria acanthoides | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17355 | Bischofia trifoliata | Species | Phyllanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17244 | Montrouziera sphaeroidea | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18709 | Discaria crenata | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5634 | Wallago attu | Species | Siluridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11420 | Dolichospermum affine | Species | Aphanizomenonaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO691 | Tarchonanthus camphoratus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28875 | Mycobacterium aurum | Species | Mycobacteriaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23838 | Kitasatospora kifunensis | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14408 | Chrysolina fastuosa | Species | Chrysomelidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15079 | Polygala myrtifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO290 | Gibberella lateritium | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10436 | Aristolochia maxima | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19162 | Tsuga heterophylla | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11925 | Mola mola | Species | Molidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17175 | Lasiocephalus ovatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9523 | Nephroma antarcticum | Species | Nephromataceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17205 | Laurencia thyrsifera | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22469 | Tropaeolum speciosum | Species | Tropaeolaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12559 | Mikania obtusata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19509 | Euodia lunu-ankenda | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15814 | Rhodiola krylovii | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13856 | Bergenia purpurascens | Species | Saxifragaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19430 | Chondrococcus hornemanni | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26487 | Tinospora smilacina | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18962 | Actinobacillus pleuropneumoniae | Species | Pasteurellaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4214 | Centaurea collina | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11186 | Duranta erecta | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5788 | Millingtonia hortensis | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17327 | Cotoneaster orbicularis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9428 | Annona rensoniana | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6939 | Vatica diospyroides | Species | Dipterocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8524 | Pithecellobium clypearia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17945 | Arachniodes dimorphophylla | Species | Dryopteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16620 | Malus asiatica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10196 | Echinocereus blanckii | Species | Cactaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22170 | Actinoplanes awajinensis | Species | Micromonosporaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16374 | Crataegus sinaica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17100 | Artemisia vachanica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20874 | Tanacetum vulgare | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13422 | Amoora yunnanensis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17870 | Euphorbia ferganensis | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11020 | Streptomyces purpeofuscus | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11559 | Betula mandshurica | Species | Betulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14698 | Phyllospongia madagascarensis | Species | Thorectidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15964 | Tropiometra afra | Species | Tropiometridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2440 | Schkuhria pinnata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12733 | Pentapora fascialis | Species | Bitectiporidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8372 | Picrasma quassioides | Species | Simaroubaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18920 | Hexalobus crispiflorus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2590 | Cordia elaeagnoides | Species | Cordiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16660 | Phomopsis archeri | Species | Valsaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4489 | Achillea serbica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22104 | Trifolium pratense | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2589 | Solanum bahamense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO201 | Gmelina arborea | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17739 | Macrotyloma axillare | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18027 | Oreosolen wattii | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17464 | Uncaria sessilifructus | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15667 | Ligularia platyglossa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6710 | Sinapis nigra | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17706 | Caragana tibetica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5445 | Euonymus nanus | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27886 | Dolichandrone stipulata | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11189 | Anabaena sphaerica | Species | 0stocaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20096 | Cirsium japonicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6987 | Tolypothrix byssoidea | Species | Tolypothrichaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2733 | Sarcomelicope argyrophylla | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16763 | Marrubium globosum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17637 | Pimpinella saxifraga | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21802 | Julocroton camporum | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11831 | Achillea collina | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16253 | Rapanea myricoides | Species | Primulaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT517 | Cell Line | Panel NCI-60 (60 carcinoma cell lines) | Homo sapiens | GI50 | > | 31000.0 | nM | PMID[552748] |
NPT171 | Cell Line | MRC5 | Homo sapiens | IC50 | > | 159200.0 | nM | PMID[552749] |
NPT2287 | Cell Line | COR-L23 | Homo sapiens | IC50 | = | 4070.0 | nM | PMID[552749] |
NPT369 | Cell Line | ACHN | Homo sapiens | IC50 | = | 15230.0 | nM | PMID[552749] |
NPT1310 | Individual Protein | Xanthine dehydrogenase | Bos taurus | Inhibition | = | 32.1 | % | PMID[552750] |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 3.0 | ug ml-1 | PMID[552751] |
NPT492 | Cell Line | Caco-2 | Homo sapiens | IC50 | = | 5300.0 | nM | PMID[552752] |
NPT2287 | Cell Line | COR-L23 | Homo sapiens | IC50 | = | 4100.0 | nM | PMID[552752] |
NPT369 | Cell Line | ACHN | Homo sapiens | IC50 | = | 15200.0 | nM | PMID[552752] |
NPT2282 | Cell Line | C32 | Homo sapiens | IC50 | = | 7000.0 | nM | PMID[552752] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 5600.0 | nM | PMID[552752] |
NPT1083 | Cell Line | A-375 | Homo sapiens | IC50 | = | 8200.0 | nM | PMID[552752] |
NPT537 | Individual Protein | Ras-related protein Rab-9A | Homo sapiens | Potency | = | 3548.1 | nM | PMID[552753] |
NPT2741 | Individual Protein | Pyruvate kinase | Leishmania mexicana | Potency | = | 7943.3 | nM | PMID[552753] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 11220.2 | nM | PMID[552753] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 10000.0 | nM | PMID[552753] |
NPT54 | Individual Protein | Nonstructural protein 1 | Influenza A virus | Potency | = | 5623.4 | nM | PMID[552753] |
NPT538 | Individual Protein | Niemann-Pick C1 protein | Homo sapiens | Potency | = | 3162.3 | nM | PMID[552753] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 12589.3 | nM | PMID[552753] |
NPT59 | Individual Protein | DNA polymerase beta | Homo sapiens | Potency | = | 22387.2 | nM | PMID[552753] |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | n.a. | 1834.9 | nM | PMID[552753] |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | n.a. | 268.5 | nM | PMID[552753] |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[552753] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 18356.4 | nM | PMID[552753] |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | n.a. | 15848.9 | nM | PMID[552753] |
NPT157 | Individual Protein | Breast cancer type 1 susceptibility protein | Homo sapiens | Potency | n.a. | 3162.3 | nM | PMID[552753] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 16360.1 | nM | PMID[552753] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 23109.3 | nM | PMID[552753] |
NPT535 | Individual Protein | Parathyroid hormone receptor | Homo sapiens | Potency | n.a. | 1995.3 | nM | PMID[552753] |
NPT11 | Individual Protein | Guanine nucleotide-binding protein G(s), subunit alpha | Homo sapiens | Potency | n.a. | 31622.8 | nM | PMID[552753] |
NPT271 | Individual Protein | Delta opioid receptor | Homo sapiens | Activity | = | 48.0 | % | PMID[552755] |
NPT1287 | Individual Protein | Cannabinoid CB2 receptor | Homo sapiens | Activity | = | 13.5 | % | PMID[552755] |
NPT232 | Individual Protein | Cannabinoid CB1 receptor | Homo sapiens | Activity | = | 19.3 | % | PMID[552755] |
NPT271 | Individual Protein | Delta opioid receptor | Homo sapiens | Ki | = | 8400.0 | nM | PMID[552755] |
NPT145 | Individual Protein | Mu opioid receptor | Homo sapiens | Activity | = | 20.1 | % | PMID[552755] |
NPT271 | Individual Protein | Delta opioid receptor | Homo sapiens | Activity | = | 79.9 | % | PMID[552755] |
NPT1479 | Individual Protein | Stem cell growth factor receptor | Homo sapiens | Activity | = | 3.0 | % | PMID[552757] |
NPT1479 | Individual Protein | Stem cell growth factor receptor | Homo sapiens | Activity | = | 0.0 | % | PMID[552757] |
NPT1479 | Individual Protein | Stem cell growth factor receptor | Homo sapiens | IC50 | = | 600.0 | nM | PMID[552757] |
NPT1479 | Individual Protein | Stem cell growth factor receptor | Homo sapiens | IC50 | = | 1500.0 | nM | PMID[552757] |
NPT839 | Cell Line | L6 | Rattus norvegicus | IC50 | = | 20200.0 | nM | PMID[552758] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 77.1 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 3.57 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 15.5 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 3.82 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 77.5 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 8.14 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 12.4 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 1.94 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 67.3 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 16.2 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 13.4 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 3.09 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 85.1 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 5.08 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 5.81 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 3.98 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 79.2 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 8.86 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 7.36 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 4.55 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 73.7 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 9.42 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 9.67 | % | PMID[552759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Activity | = | 7.17 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 26.7 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 20.4 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 7.4 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 6.47 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 2.59 | % | PMID[552759] |
NPT3723 | Cell Line | CT26 | Mus musculus | Activity | = | 4.17 | % | PMID[552759] |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | Inhibition | = | 37.8 | % | PMID[552760] |
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | > | 250000.0 | nM | PMID[552760] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | > | 20000.0 | nM | PMID[552760] |
NPT15 | Cell Line | Jurkat | Homo sapiens | IC50 | > | 20000.0 | nM | PMID[552760] |
NPT3377 | Cell Line | PC-9 | IC50 | > | 80000.0 | nM | PMID[552760] | |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 18100.0 | nM | PMID[552760] |
NPT2341 | Cell Line | NCI-H1975 | Homo sapiens | IC50 | = | 76600.0 | nM | PMID[552760] |
NPT518 | Protein Complex | Tubulin | Homo sapiens | IC50 | > | 40000.0 | nM | PMID[552748] |
NPT518 | Protein Complex | Tubulin | Homo sapiens | Inhibition | = | 11.0 | % | PMID[552748] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 7020.0 | nM | PMID[552749] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | > | 100000.0 | nM | PMID[552752] |
NPT35 | Others | n.a. | LogP | = | 2.0 | n.a. | PMID[552752] | |
NPT983 | Protein Complex | Nuclear factor NF-kappa-B complex | Homo sapiens | EC50 | = | 2290.0 | nM | PMID[552753] |
NPT536 | Uncleic Acid | microRNA 21 | Homo sapiens | Potency | = | 656.1 | nM | PMID[552753] |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 11220.2 | nM | PMID[552753] |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 737.5 | nM | PMID[552753] |
NPT2 | Others | Unspecified | Potency | n.a. | 10000.0 | nM | PMID[552753] | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 293.6 | nM | PMID[552753] |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | n.a. | 89125.1 | nM | PMID[552753] |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[552753] | |
NPT2535 | Tissue | Plasma | Oryctolagus cuniculus | PT | = | 6.53 | s | PMID[552756] |
NPT2535 | Tissue | Plasma | Oryctolagus cuniculus | TT | = | 27.45 | s | PMID[552756] |
NPT2535 | Tissue | Plasma | Oryctolagus cuniculus | APTT | = | 30.48 | s | PMID[552756] |
NPT2535 | Tissue | Plasma | Oryctolagus cuniculus | Activity | = | 5.92 | g/L | PMID[552756] |
NPT35 | Others | n.a. | IC50 | = | 169820.0 | nM | PMID[552756] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 68.14 | % | PMID[552756] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 44.25 | % | PMID[552756] |
NPT35 | Others | n.a. | Solubility | = | 1.36 | ug.mL-1 | PMID[552756] | |
NPT35 | Others | n.a. | LogP | = | 2.14 | n.a. | PMID[552756] | |
NPT35 | Others | n.a. | LogP | = | 2.094 | n.a. | PMID[552756] | |
NPT35 | Others | n.a. | LogP | = | 1.863 | n.a. | PMID[552756] | |
NPT844 | Organism | Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | = | 6100.0 | nM | PMID[552758] |
NPT2 | Others | Unspecified | Ratio IC50 | = | 3.3 | n.a. | PMID[552758] |
☑ 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 NPC156222 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 |
---|---|---|
1.0 | High Similarity | NPC71334 |
1.0 | High Similarity | NPC83508 |
1.0 | High Similarity | NPC120163 |
1.0 | High Similarity | NPC222830 |
1.0 | High Similarity | NPC188203 |
1.0 | High Similarity | NPC57030 |
1.0 | High Similarity | NPC256283 |
1.0 | High Similarity | NPC100887 |
1.0 | High Similarity | NPC275722 |
1.0 | High Similarity | NPC275836 |
1.0 | High Similarity | NPC241498 |
1.0 | High Similarity | NPC187498 |
1.0 | High Similarity | NPC212678 |
1.0 | High Similarity | NPC162313 |
1.0 | High Similarity | NPC239128 |
1.0 | High Similarity | NPC293183 |
1.0 | High Similarity | NPC131624 |
1.0 | High Similarity | NPC25270 |
1.0 | High Similarity | NPC198826 |
1.0 | High Similarity | NPC301323 |
0.9932 | High Similarity | NPC255350 |
0.9932 | High Similarity | NPC176775 |
0.9932 | High Similarity | NPC274327 |
0.9932 | High Similarity | NPC231018 |
0.9932 | High Similarity | NPC183878 |
0.9932 | High Similarity | NPC69394 |
0.9932 | High Similarity | NPC160951 |
0.9932 | High Similarity | NPC47781 |
0.9932 | High Similarity | NPC145379 |
0.9932 | High Similarity | NPC22519 |
0.9864 | High Similarity | NPC146165 |
0.9864 | High Similarity | NPC227325 |
0.9864 | High Similarity | NPC163780 |
0.9864 | High Similarity | NPC201136 |
0.9864 | High Similarity | NPC167815 |
0.9864 | High Similarity | NPC128863 |
0.9864 | High Similarity | NPC44079 |
0.9864 | High Similarity | NPC256612 |
0.9864 | High Similarity | NPC213622 |
0.9864 | High Similarity | NPC2476 |
0.9864 | High Similarity | NPC280339 |
0.9864 | High Similarity | NPC201451 |
0.9864 | High Similarity | NPC4455 |
0.9864 | High Similarity | NPC26227 |
0.9864 | High Similarity | NPC138360 |
0.9864 | High Similarity | NPC92659 |
0.9864 | High Similarity | NPC50715 |
0.9864 | High Similarity | NPC20830 |
0.9864 | High Similarity | NPC183597 |
0.9864 | High Similarity | NPC196439 |
0.9863 | High Similarity | NPC142540 |
0.9862 | High Similarity | NPC306821 |
0.9862 | High Similarity | NPC184136 |
0.9797 | High Similarity | NPC266960 |
0.9797 | High Similarity | NPC43243 |
0.9797 | High Similarity | NPC98661 |
0.9797 | High Similarity | NPC247017 |
0.9797 | High Similarity | NPC245546 |
0.9797 | High Similarity | NPC49824 |
0.9796 | High Similarity | NPC250822 |
0.9796 | High Similarity | NPC75279 |
0.9796 | High Similarity | NPC276409 |
0.9795 | High Similarity | NPC226973 |
0.9795 | High Similarity | NPC208043 |
0.9793 | High Similarity | NPC287101 |
0.9793 | High Similarity | NPC296197 |
0.9793 | High Similarity | NPC17286 |
0.9793 | High Similarity | NPC183950 |
0.9793 | High Similarity | NPC223579 |
0.9793 | High Similarity | NPC52005 |
0.9793 | High Similarity | NPC137062 |
0.9793 | High Similarity | NPC216318 |
0.9793 | High Similarity | NPC259713 |
0.9732 | High Similarity | NPC305663 |
0.9732 | High Similarity | NPC287979 |
0.9732 | High Similarity | NPC470402 |
0.9732 | High Similarity | NPC75215 |
0.9732 | High Similarity | NPC203891 |
0.9732 | High Similarity | NPC227192 |
0.9732 | High Similarity | NPC176665 |
0.9732 | High Similarity | NPC224137 |
0.9732 | High Similarity | NPC163524 |
0.9732 | High Similarity | NPC101830 |
0.9732 | High Similarity | NPC93376 |
0.9732 | High Similarity | NPC189179 |
0.9732 | High Similarity | NPC110070 |
0.973 | High Similarity | NPC208197 |
0.973 | High Similarity | NPC2928 |
0.9728 | High Similarity | NPC39732 |
0.9728 | High Similarity | NPC180234 |
0.9728 | High Similarity | NPC120537 |
0.9728 | High Similarity | NPC301123 |
0.9728 | High Similarity | NPC199100 |
0.9728 | High Similarity | NPC60972 |
0.9726 | High Similarity | NPC45873 |
0.9724 | High Similarity | NPC120464 |
0.9667 | High Similarity | NPC143828 |
0.9667 | High Similarity | NPC300943 |
0.9667 | High Similarity | NPC4481 |
0.9667 | High Similarity | NPC152166 |
0.9667 | High Similarity | NPC204854 |
0.9667 | High Similarity | NPC22472 |
0.9667 | High Similarity | NPC191459 |
0.9667 | High Similarity | NPC19687 |
0.9667 | High Similarity | NPC7846 |
0.9667 | High Similarity | NPC288669 |
0.9667 | High Similarity | NPC105242 |
0.9667 | High Similarity | NPC176300 |
0.9667 | High Similarity | NPC253634 |
0.9667 | High Similarity | NPC25495 |
0.9667 | High Similarity | NPC18772 |
0.9667 | High Similarity | NPC115798 |
0.9667 | High Similarity | NPC9609 |
0.9667 | High Similarity | NPC18607 |
0.9667 | High Similarity | NPC261004 |
0.9667 | High Similarity | NPC130894 |
0.9664 | High Similarity | NPC472916 |
0.9664 | High Similarity | NPC255106 |
0.9664 | High Similarity | NPC474520 |
0.9664 | High Similarity | NPC235165 |
0.9664 | High Similarity | NPC292107 |
0.9662 | High Similarity | NPC206238 |
0.9662 | High Similarity | NPC271779 |
0.9662 | High Similarity | NPC88645 |
0.9662 | High Similarity | NPC292214 |
0.9662 | High Similarity | NPC86485 |
0.9662 | High Similarity | NPC167091 |
0.966 | High Similarity | NPC200740 |
0.966 | High Similarity | NPC54394 |
0.966 | High Similarity | NPC225731 |
0.966 | High Similarity | NPC117579 |
0.966 | High Similarity | NPC252933 |
0.966 | High Similarity | NPC125062 |
0.966 | High Similarity | NPC308451 |
0.9658 | High Similarity | NPC328119 |
0.9658 | High Similarity | NPC48479 |
0.9658 | High Similarity | NPC177298 |
0.9655 | High Similarity | NPC61871 |
0.9655 | High Similarity | NPC108406 |
0.9655 | High Similarity | NPC239312 |
0.9655 | High Similarity | NPC130230 |
0.9655 | High Similarity | NPC275772 |
0.9655 | High Similarity | NPC30647 |
0.9655 | High Similarity | NPC55557 |
0.9655 | High Similarity | NPC12200 |
0.9603 | High Similarity | NPC476980 |
0.96 | High Similarity | NPC472911 |
0.96 | High Similarity | NPC78302 |
0.96 | High Similarity | NPC48208 |
0.96 | High Similarity | NPC245758 |
0.96 | High Similarity | NPC156057 |
0.96 | High Similarity | NPC210084 |
0.96 | High Similarity | NPC7973 |
0.96 | High Similarity | NPC78225 |
0.96 | High Similarity | NPC472914 |
0.96 | High Similarity | NPC29841 |
0.96 | High Similarity | NPC99597 |
0.96 | High Similarity | NPC475267 |
0.96 | High Similarity | NPC472910 |
0.96 | High Similarity | NPC235215 |
0.96 | High Similarity | NPC162869 |
0.96 | High Similarity | NPC472913 |
0.96 | High Similarity | NPC472438 |
0.96 | High Similarity | NPC474208 |
0.96 | High Similarity | NPC474836 |
0.96 | High Similarity | NPC222814 |
0.96 | High Similarity | NPC96167 |
0.9597 | High Similarity | NPC32557 |
0.9597 | High Similarity | NPC189960 |
0.9597 | High Similarity | NPC214138 |
0.9595 | High Similarity | NPC209487 |
0.9595 | High Similarity | NPC269451 |
0.9595 | High Similarity | NPC245382 |
0.9595 | High Similarity | NPC55205 |
0.9595 | High Similarity | NPC39007 |
0.9595 | High Similarity | NPC27208 |
0.9595 | High Similarity | NPC131266 |
0.9595 | High Similarity | NPC100971 |
0.9595 | High Similarity | NPC35763 |
0.9595 | High Similarity | NPC216769 |
0.9595 | High Similarity | NPC181209 |
0.9595 | High Similarity | NPC121522 |
0.9595 | High Similarity | NPC82325 |
0.9595 | High Similarity | NPC161277 |
0.9595 | High Similarity | NPC100263 |
0.9595 | High Similarity | NPC101996 |
0.9595 | High Similarity | NPC291802 |
0.9595 | High Similarity | NPC279989 |
0.9592 | High Similarity | NPC61620 |
0.9592 | High Similarity | NPC62042 |
0.9589 | High Similarity | NPC195202 |
0.9589 | High Similarity | NPC118726 |
0.9589 | High Similarity | NPC12367 |
0.9539 | High Similarity | NPC258331 |
0.9536 | High Similarity | NPC193842 |
0.9533 | High Similarity | NPC191146 |
0.9533 | High Similarity | NPC100916 |
0.9533 | High Similarity | NPC55619 |
0.9533 | High Similarity | NPC200388 |
0.9533 | High Similarity | NPC268161 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC156222 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 |
---|---|---|---|
0.9932 | High Similarity | NPD2801 | Approved |
0.9463 | High Similarity | NPD1934 | Approved |
0.9448 | High Similarity | NPD1511 | Approved |
0.932 | High Similarity | NPD1512 | Approved |
0.915 | High Similarity | NPD3882 | Suspended |
0.9145 | High Similarity | NPD2393 | Clinical (unspecified phase) |
0.8961 | High Similarity | NPD3817 | Phase 2 |
0.8875 | High Similarity | NPD3818 | Discontinued |
0.8868 | High Similarity | NPD6168 | Clinical (unspecified phase) |
0.8868 | High Similarity | NPD6167 | Clinical (unspecified phase) |
0.8868 | High Similarity | NPD6166 | Phase 2 |
0.8834 | High Similarity | NPD4338 | Clinical (unspecified phase) |
0.882 | High Similarity | NPD7054 | Approved |
0.8765 | High Similarity | NPD7472 | Approved |
0.8742 | High Similarity | NPD4378 | Clinical (unspecified phase) |
0.865 | High Similarity | NPD7074 | Phase 3 |
0.8616 | High Similarity | NPD5494 | Approved |
0.8598 | High Similarity | NPD6797 | Phase 2 |
0.8545 | High Similarity | NPD7251 | Discontinued |
0.8544 | High Similarity | NPD4868 | Clinical (unspecified phase) |
0.8523 | High Similarity | NPD1552 | Clinical (unspecified phase) |
0.8523 | High Similarity | NPD1550 | Clinical (unspecified phase) |
0.8514 | High Similarity | NPD1510 | Phase 2 |
0.8494 | Intermediate Similarity | NPD7808 | Phase 3 |
0.8467 | Intermediate Similarity | NPD1549 | Phase 2 |
0.8462 | Intermediate Similarity | NPD4380 | Phase 2 |
0.8395 | Intermediate Similarity | NPD6232 | Discontinued |
0.8375 | Intermediate Similarity | NPD4381 | Clinical (unspecified phase) |
0.8367 | Intermediate Similarity | NPD943 | Approved |
0.8367 | Intermediate Similarity | NPD1240 | Approved |
0.8365 | Intermediate Similarity | NPD5402 | Approved |
0.8354 | Intermediate Similarity | NPD7473 | Discontinued |
0.8333 | Intermediate Similarity | NPD1247 | Approved |
0.8333 | Intermediate Similarity | NPD2796 | Approved |
0.8312 | Intermediate Similarity | NPD6799 | Approved |
0.8302 | Intermediate Similarity | NPD1465 | Phase 2 |
0.8261 | Intermediate Similarity | NPD7075 | Discontinued |
0.8258 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.8255 | Intermediate Similarity | NPD1607 | Approved |
0.8224 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.8187 | Intermediate Similarity | NPD7096 | Clinical (unspecified phase) |
0.8144 | Intermediate Similarity | NPD5844 | Phase 1 |
0.8125 | Intermediate Similarity | NPD6801 | Discontinued |
0.8095 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.8075 | Intermediate Similarity | NPD7819 | Suspended |
0.8067 | Intermediate Similarity | NPD230 | Phase 1 |
0.8067 | Intermediate Similarity | NPD447 | Suspended |
0.8047 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.8036 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.8027 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.8025 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.8012 | Intermediate Similarity | NPD3926 | Phase 2 |
0.8 | Intermediate Similarity | NPD6599 | Discontinued |
0.8 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD3750 | Approved |
0.8 | Intermediate Similarity | NPD1613 | Approved |
0.7988 | Intermediate Similarity | NPD919 | Approved |
0.7974 | Intermediate Similarity | NPD2935 | Discontinued |
0.795 | Intermediate Similarity | NPD7411 | Suspended |
0.7935 | Intermediate Similarity | NPD2800 | Approved |
0.7925 | Intermediate Similarity | NPD5403 | Approved |
0.7911 | Intermediate Similarity | NPD5401 | Approved |
0.7908 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7892 | Intermediate Similarity | NPD6959 | Discontinued |
0.7857 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7818 | Intermediate Similarity | NPD3749 | Approved |
0.7812 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.78 | Intermediate Similarity | NPD3027 | Phase 3 |
0.7791 | Intermediate Similarity | NPD6559 | Discontinued |
0.7785 | Intermediate Similarity | NPD9494 | Approved |
0.7771 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7764 | Intermediate Similarity | NPD1653 | Approved |
0.7748 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7712 | Intermediate Similarity | NPD1933 | Approved |
0.7702 | Intermediate Similarity | NPD920 | Approved |
0.7692 | Intermediate Similarity | NPD2344 | Approved |
0.7688 | Intermediate Similarity | NPD2534 | Approved |
0.7688 | Intermediate Similarity | NPD2532 | Approved |
0.7688 | Intermediate Similarity | NPD2533 | Approved |
0.7684 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7677 | Intermediate Similarity | NPD3748 | Approved |
0.7661 | Intermediate Similarity | NPD3751 | Discontinued |
0.7651 | Intermediate Similarity | NPD7768 | Phase 2 |
0.7647 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.7635 | Intermediate Similarity | NPD4379 | Clinical (unspecified phase) |
0.7632 | Intermediate Similarity | NPD2313 | Discontinued |
0.7625 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.761 | Intermediate Similarity | NPD6190 | Approved |
0.7607 | Intermediate Similarity | NPD3226 | Approved |
0.7595 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.7595 | Intermediate Similarity | NPD1243 | Approved |
0.7578 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7574 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7564 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.756 | Intermediate Similarity | NPD6234 | Discontinued |
0.7547 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7533 | Intermediate Similarity | NPD1203 | Approved |
0.7529 | Intermediate Similarity | NPD3787 | Discontinued |
0.7516 | Intermediate Similarity | NPD6099 | Approved |
0.7516 | Intermediate Similarity | NPD6100 | Approved |
0.75 | Intermediate Similarity | NPD2309 | Approved |
0.75 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7485 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7468 | Intermediate Similarity | NPD2346 | Discontinued |
0.7466 | Intermediate Similarity | NPD1548 | Phase 1 |
0.7453 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.7452 | Intermediate Similarity | NPD2799 | Discontinued |
0.745 | Intermediate Similarity | NPD9269 | Phase 2 |
0.7443 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7436 | Intermediate Similarity | NPD6651 | Approved |
0.7429 | Intermediate Similarity | NPD5953 | Discontinued |
0.7416 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7414 | Intermediate Similarity | NPD7286 | Phase 2 |
0.7403 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.7386 | Intermediate Similarity | NPD7685 | Pre-registration |
0.7383 | Intermediate Similarity | NPD422 | Phase 1 |
0.7372 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7365 | Intermediate Similarity | NPD6844 | Discontinued |
0.7365 | Intermediate Similarity | NPD37 | Approved |
0.7337 | Intermediate Similarity | NPD4965 | Approved |
0.7337 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7337 | Intermediate Similarity | NPD4966 | Approved |
0.7333 | Intermediate Similarity | NPD9717 | Approved |
0.7301 | Intermediate Similarity | NPD7390 | Discontinued |
0.729 | Intermediate Similarity | NPD3268 | Approved |
0.7283 | Intermediate Similarity | NPD5242 | Approved |
0.7273 | Intermediate Similarity | NPD6832 | Phase 2 |
0.7273 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7267 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7267 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7257 | Intermediate Similarity | NPD7228 | Approved |
0.7255 | Intermediate Similarity | NPD2798 | Approved |
0.7244 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7237 | Intermediate Similarity | NPD3225 | Approved |
0.7233 | Intermediate Similarity | NPD7033 | Discontinued |
0.7233 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7222 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7219 | Intermediate Similarity | NPD1608 | Approved |
0.7208 | Intermediate Similarity | NPD3018 | Phase 2 |
0.7202 | Intermediate Similarity | NPD6385 | Approved |
0.7202 | Intermediate Similarity | NPD6386 | Approved |
0.7195 | Intermediate Similarity | NPD4357 | Discontinued |
0.719 | Intermediate Similarity | NPD2797 | Approved |
0.7182 | Intermediate Similarity | NPD8434 | Phase 2 |
0.7181 | Intermediate Similarity | NPD9268 | Approved |
0.7179 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD411 | Approved |
0.7176 | Intermediate Similarity | NPD5353 | Approved |
0.7162 | Intermediate Similarity | NPD5536 | Phase 2 |
0.716 | Intermediate Similarity | NPD2654 | Approved |
0.7152 | Intermediate Similarity | NPD7422 | Clinical (unspecified phase) |
0.7151 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD2403 | Approved |
0.7135 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7135 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7128 | Intermediate Similarity | NPD6778 | Approved |
0.7128 | Intermediate Similarity | NPD6780 | Approved |
0.7128 | Intermediate Similarity | NPD6776 | Approved |
0.7128 | Intermediate Similarity | NPD6782 | Approved |
0.7128 | Intermediate Similarity | NPD6781 | Approved |
0.7128 | Intermediate Similarity | NPD6777 | Approved |
0.7128 | Intermediate Similarity | NPD6779 | Approved |
0.7126 | Intermediate Similarity | NPD5710 | Approved |
0.7126 | Intermediate Similarity | NPD5711 | Approved |
0.7111 | Intermediate Similarity | NPD8313 | Approved |
0.7111 | Intermediate Similarity | NPD8312 | Approved |
0.7108 | Intermediate Similarity | NPD1940 | Clinical (unspecified phase) |
0.7105 | Intermediate Similarity | NPD1481 | Phase 2 |
0.7103 | Intermediate Similarity | NPD228 | Approved |
0.7097 | Intermediate Similarity | NPD2861 | Phase 2 |
0.7078 | Intermediate Similarity | NPD3266 | Approved |
0.7078 | Intermediate Similarity | NPD1470 | Approved |
0.7078 | Intermediate Similarity | NPD3267 | Approved |
0.7076 | Intermediate Similarity | NPD4288 | Approved |
0.707 | Intermediate Similarity | NPD6798 | Discontinued |
0.7059 | Intermediate Similarity | NPD2982 | Phase 2 |
0.7059 | Intermediate Similarity | NPD2983 | Phase 2 |
0.7056 | Intermediate Similarity | NPD7549 | Discontinued |
0.7055 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7048 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7039 | Intermediate Similarity | NPD1535 | Discovery |
0.7039 | Intermediate Similarity | NPD1201 | Approved |
0.7035 | Intermediate Similarity | NPD2899 | Discontinued |
0.7029 | Intermediate Similarity | NPD7229 | Phase 3 |
0.702 | Intermediate Similarity | NPD17 | Approved |
0.7016 | Intermediate Similarity | NPD7435 | Discontinued |
0.7006 | Intermediate Similarity | NPD4625 | Phase 3 |
0.7005 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.7005 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.7 | Intermediate Similarity | NPD9545 | Approved |
0.6995 | Remote Similarity | NPD7584 | Approved |
0.6995 | Remote Similarity | NPD8150 | Discontinued |
0.6993 | Remote Similarity | NPD2981 | Phase 2 |
0.6981 | Remote Similarity | NPD1558 | Phase 1 |
0.6981 | Remote Similarity | NPD4307 | Phase 2 |
0.698 | Remote Similarity | NPD9493 | Approved |
0.6977 | Remote Similarity | NPD2296 | Approved |
0.697 | Remote Similarity | NPD2354 | Approved |
0.6962 | Remote Similarity | NPD1296 | Phase 2 |
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.