Molecular Weight:   | 316.06 |
Volume:   | 300.063 |
LogP:   | 2.742 |
LogD:   | 2.014 |
LogS:   | -3.635 |
# Rotatable Bonds:   | 2 |
TPSA:   | 120.36 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 4 |
# Rings:   | 3 |
# Heavy Atoms:   | 7 |
QED Drug-Likeness Score:   | 0.535 |
Synthetic Accessibility Score:   | 2.544 |
Fsp3:   | 0.062 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 2 |
PAINS Alert:   | 1 |
Caco-2 Permeability:   | -5.047 |
MDCK Permeability:   | 1.0654862308001611e-05 |
Pgp-inhibitor:   | 0.011 |
Pgp-substrate:   | 0.581 |
Human Intestinal Absorption (HIA):   | 0.067 |
20% Bioavailability (F20%):   | 0.817 |
30% Bioavailability (F30%):   | 0.993 |
Blood-Brain-Barrier Penetration (BBB):   | 0.002 |
Plasma Protein Binding (PPB):   | 94.9066390991211% |
Volume Distribution (VD):   | 0.538 |
Pgp-substrate:   | 11.194649696350098% |
CYP1A2-inhibitor:   | 0.956 |
CYP1A2-substrate:   | 0.82 |
CYP2C19-inhibitor:   | 0.073 |
CYP2C19-substrate:   | 0.053 |
CYP2C9-inhibitor:   | 0.615 |
CYP2C9-substrate:   | 0.719 |
CYP2D6-inhibitor:   | 0.362 |
CYP2D6-substrate:   | 0.323 |
CYP3A4-inhibitor:   | 0.267 |
CYP3A4-substrate:   | 0.104 |
Clearance (CL):   | 6.273 |
Half-life (T1/2):   | 0.904 |
hERG Blockers:   | 0.116 |
Human Hepatotoxicity (H-HT):   | 0.052 |
Drug-inuced Liver Injury (DILI):   | 0.932 |
AMES Toxicity:   | 0.542 |
Rat Oral Acute Toxicity:   | 0.051 |
Maximum Recommended Daily Dose:   | 0.455 |
Skin Sensitization:   | 0.939 |
Carcinogencity:   | 0.08 |
Eye Corrosion:   | 0.004 |
Eye Irritation:   | 0.93 |
Respiratory Toxicity:   | 0.217 |
Natural Product ID:   | NPC100887 |
Common Name*:   | Eupafolin |
IUPAC Name:   | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one |
Synonyms:   | 6-Methoxy 5,7,3',4'-Tetrahydroxyflavone; 6-Methoxyluteolin; Eupafolin; Pedaltin |
Standard InCHIKey:   | FHHSEFRSDKWJKJ-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 |
SMILES:   | COc1c(cc2c(c(=O)cc(c3ccc(c(c3)O)O)o2)c1O)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL172350 |
PubChem CID:   |
5317284 |
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 |
---|---|---|---|---|---|---|---|---|
NPO14367 | Hypericum hirsutum | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1007/BF00597593] |
NPO10304 | Colletotrichum gloeosporioides | Species | Glomerellaceae | Eukaryota | Artemisia mongolica | n.a. | n.a. |
PMID[11087599] |
NPO16484 | Muraltia heisteria | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11858755] |
NPO4462 | Tripterygium doianum | Species | Celastraceae | Eukaryota | n.a. | branch | n.a. |
PMID[12165306] |
NPO851 | Eupatorium lindleyanum | Species | Asteraceae | Eukaryota | Whole plant | Songyang County, Zhejiang Province, China | n.a. |
PMID[15387644] |
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15974602] |
NPO22460 | Vernonia pachyclada | Species | Asteraceae | Eukaryota | n.a. | Madagascar rainforest | n.a. |
PMID[16180816] |
NPO17782 | Inula britannica | Species | Asteraceae | Eukaryota | flowers | n.a. | n.a. |
PMID[16643020] |
NPO14775 | Eupenicillium javanicum | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17711347] |
NPO22874 | Bombyx mori | Species | Bombycidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18071251] |
NPO22874 | Bombyx mori | Species | Bombycidae | Eukaryota | n.a. | faeces | n.a. |
PMID[18323202] |
NPO14775 | Eupenicillium javanicum | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18771240] |
NPO15819 | Hunteria zeylanica | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19388660] |
NPO8662 | Lantana fucata | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19634889] |
NPO25456 | Cortinarius infractus | Species | Cortinariaceae | Eukaryota | Toadstool | n.a. | n.a. |
PMID[20176490] |
NPO25579 | Alstonia pneumatophora | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20576577] |
NPO17462 | Pouteria sapota | Species | Sapotaceae | Eukaryota | n.a. | ripe fruit | n.a. |
PMID[21214217] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | whole plant | n.a. |
PMID[21428416] |
NPO15819 | Hunteria zeylanica | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21524573] |
NPO2286 | Fischerella muscicola | Species | Hapalosiphonaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[22863526] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22870812] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23435948] |
NPO12721 | Liriodendron tulipifera | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO17620 | Rhodopirellula baltica | Species | Planctomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[23826385] |
NPO10051 | Phyla nodiflora | Species | Verbenaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[25140335] |
NPO12737.1 | Torreya fargesii var. yunnanensis | Varieties | Taxaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25495612] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25737008] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26020634] |
NPO17462 | Pouteria sapota | Species | Sapotaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26057604] |
NPO9124 | Inula japonica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27276091] |
NPO17346 | Salvia plebeia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27933899] |
NPO15819 | Hunteria zeylanica | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28362501] |
NPO17346 | Salvia plebeia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28960981] |
NPO10304 | Colletotrichum gloeosporioides | Species | Glomerellaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29035525] |
NPO759 | Asphodelus tenuifolius | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30063349] |
NPO15473 | Ocotea heterochroma | Species | Lauraceae | Eukaryota | leaves | n.a. | n.a. |
PMID[30188730] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[8229021] |
NPO4462 | Tripterygium doianum | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO20640 | Aloysia triphylla | Species | Verbenaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO17462 | Pouteria sapota | Species | Sapotaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7362 | Thalictrum omeiense | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9124 | Inula japonica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12721 | Liriodendron tulipifera | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11583 | Calycanthus floridus | Species | Calycanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22874 | Bombyx mori | Species | Bombycidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17464 | Uncaria sessilifructus | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17782 | Inula britannica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15819 | Hunteria zeylanica | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7527 | Isodon leucophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO30681 | Lippia nodiflora | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO18920 | Hexalobus crispiflorus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23653 | Nepeta hindostana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11291 | Styrax benzoin | Species | Styracaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17346 | Salvia plebeia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3485 | Eupatorium subhastatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5118 | Zanthoxylum myriacanthum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO851 | Eupatorium lindleyanum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29832 | Eupatorium cuneifolium | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19162 | Tsuga heterophylla | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17949 | Gentiana thunbergii | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27725 | Artemisia vestita | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4462 | Tripterygium doianum | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[Phytochemistry, 2004, 65, 2071] |
NPO12721 | Liriodendron tulipifera | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4462 | Tripterygium doianum | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11291 | Styrax benzoin | Species | Styracaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12737.1 | Torreya fargesii var. yunnanensis | Varieties | Taxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23653 | Nepeta hindostana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10051 | Phyla nodiflora | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26396 | Coprinopsis atramentaria | Species | Psathyrellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3485 | Eupatorium subhastatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15819 | Hunteria zeylanica | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9124 | Inula japonica | 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] |
NPO17949 | Gentiana thunbergii | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1252 | Aglaia grandis | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO18920 | Hexalobus crispiflorus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17782 | Inula britannica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO851 | Eupatorium lindleyanum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8594 | Eupatorium glaucescens | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7362 | Thalictrum omeiense | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20969 | Pseudognaphalium affine | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26719 | Tetrapanax papyrifer | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17346 | Salvia plebeia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5118 | Zanthoxylum myriacanthum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22874 | Bombyx mori | Species | Bombycidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15771 | Polygonatum prattii | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19162 | Tsuga heterophylla | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29082 | Persicaria hydropiper | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11583 | Calycanthus floridus | Species | Calycanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7527 | Isodon leucophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27725 | Artemisia vestita | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11452 | Pterocarpus officinalis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14039 | Leucaena leucocephala | Species | Fabaceae | 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] |
NPO11291 | Styrax benzoin | Species | Styracaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14367 | Hypericum hirsutum | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9124 | Inula japonica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29832 | Eupatorium cuneifolium | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22874 | Bombyx mori | Species | Bombycidae | 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] |
NPO11100 | Artemisia capillaris | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17346 | Salvia plebeia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO851 | Eupatorium lindleyanum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO17782 | Inula britannica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO30681 | Lippia nodiflora | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23653 | Nepeta hindostana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12721 | Liriodendron tulipifera | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11583 | Calycanthus floridus | Species | Calycanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO27725 | Artemisia vestita | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO851 | Eupatorium lindleyanum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17782 | Inula britannica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9124 | Inula japonica | Species | Asteraceae | 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] |
NPO11291 | Styrax benzoin | Species | Styracaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17691 | Santalum album | Species | Santalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14133 | Eupatorium perfoliatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10304 | Colletotrichum gloeosporioides | Species | Glomerellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17032 | Knautia silvatica | Species | Caprifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25066 | Werneria stuebelii | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18835 | Aloe nobilis | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24904 | Mangifera gabonensis | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1786 | Pyrus pyrifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26396 | Coprinopsis atramentaria | Species | Psathyrellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9265 | Jasonia candicans | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20969 | Pseudognaphalium affine | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7463 | Ranzania japonica | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO851 | Eupatorium lindleyanum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7362 | Thalictrum omeiense | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14039 | Leucaena leucocephala | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17782 | Inula britannica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19162 | Tsuga heterophylla | Species | Pinaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16352 | Peperomia villipetiola | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11291 | Styrax benzoin | Species | Styracaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9447 | Tolypothrix tenuis | Species | Tolypothrichaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27725 | Artemisia vestita | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17205 | Laurencia thyrsifera | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26719 | Tetrapanax papyrifer | Species | Araliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24959 | Chaenomeles cathayensis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24451 | Gaylussacia frondosa | Species | Ericaceae | 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] |
NPO9405 | Siphocampylus foliosus | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10081 | Othonna sedifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15031 | Senecio microglossus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22874 | Bombyx mori | Species | Bombycidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16738 | Leptogorgia gilchristi | Species | Gorgoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14775 | Eupenicillium javanicum | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7779 | Impatiens edgeworthii | Species | Balsaminaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19968 | Millettia ovalifolia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18920 | Hexalobus crispiflorus | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17462 | Pouteria sapota | Species | Sapotaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO669 | Crepis pygmaea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8120 | Episcia cupreata | Species | Gesneriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12721 | Liriodendron tulipifera | Species | Magnoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO540 | Anaphalis araneosa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25579 | Alstonia pneumatophora | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10536 | Rhabdonia verticillata | Species | Areschougiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16763 | Marrubium globosum | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17346 | Salvia plebeia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17792 | Penicillium lapidosum | Species | Aspergillaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23653 | Nepeta hindostana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8634 | Podocarpus mannii | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10051 | Phyla nodiflora | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17875 | Erythroxylum microphyllum | Species | Erythroxylaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7527 | Isodon leucophyllus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17640 | Omphalotus nidiformis | Species | Omphalotaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7566 | Ptelea viscosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6388 | Mulguraea tridens | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12153 | Adenia globosa | Species | Passifloraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22170 | Actinoplanes awajinensis | Species | Micromonosporaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17155 | Selaginella apoda | Species | Selaginellaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29082 | Persicaria hydropiper | Species | Polygonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20640 | Aloysia triphylla | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24761 | Enicostema littorale | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19268 | Climacostomum virens | Species | Climacostomidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23338 | Cribrochalina dura | Species | Niphatidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16065 | Micromeria japonica | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11583 | Calycanthus floridus | Species | Calycanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17407 | Bauhinia splendens | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO759 | Asphodelus tenuifolius | Species | Asphodelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6802 | Rothmannia wittii | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25688 | Mikania congesta | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12737.1 | Torreya fargesii var. yunnanensis | Varieties | Taxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17949 | Gentiana thunbergii | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16484 | Muraltia heisteria | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17620 | Rhodopirellula baltica | Species | Planctomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15971 | Teclea boiviniana | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14027 | Dacryodes normandii | Species | Burseraceae | 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] |
NPO4462 | Tripterygium doianum | Species | Celastraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13706 | Barleria acanthoides | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18445 | Puccinia coronata | Species | Pucciniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3485 | Eupatorium subhastatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13470 | Satureja odora | 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] |
NPO2590 | Cordia elaeagnoides | Species | Cordiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1252 | Aglaia grandis | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25270 | Trichoderma roseum | Species | Hypocreaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8662 | Lantana fucata | Species | Verbenaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15473 | Ocotea heterochroma | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24861 | Usnea aciculifera | Species | Parmeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22460 | Vernonia pachyclada | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12613 | Catunaregam tomentosa | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20993 | Bystropogon mollis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8594 | Eupatorium glaucescens | 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] |
NPO14367 | Hypericum hirsutum | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11544 | Vernonia lanuginosa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7968 | Artemisia kurramensis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25456 | Cortinarius infractus | Species | Cortinariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10483 | Chrysanthemum sinense | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9124 | Inula japonica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15819 | Hunteria zeylanica | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2286 | Fischerella muscicola | Species | Hapalosiphonaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14201 | Riccia fluitans | Species | Ricciaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11452 | Pterocarpus officinalis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5118 | Zanthoxylum myriacanthum | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26459 | Lissoclinum fragile | Species | Didemnidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17106 | Phyllanthus discoides | Species | Leiothrichidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17105 | Phaenocoma prolifera | Species | Asteraceae | 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] |
NPO17464 | Uncaria sessilifructus | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2709 | Flindersia dissosperma | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15771 | Polygonatum prattii | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16515 | Siphonoglossa mexicana | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25551 | Monodora grandiflora | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO557 | Bhesa nitidissima | Species | Centroplacaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10798 | Cis punctifer | Species | Ciidae | 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 |
---|---|---|---|---|---|---|---|---|
NPO20640 | NPC100887 | Dried Or Powder | n.a. | 2.599615402 | n.a. | n.a. | mg/100g | Database [PHENOL EXPLORER] |
NPO42032 | NPC100887 | n.a. | n.a. | 2.59962 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
☑ 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 |
---|---|---|---|---|---|---|---|---|
NPT12 | Individual Protein | Human immunodeficiency virus type 1 integrase | Human immunodeficiency virus 1 | IC50 | = | 94300.0 | nM | PMID[453764] |
NPT12 | Individual Protein | Human immunodeficiency virus type 1 integrase | Human immunodeficiency virus 1 | IC50 | = | 39100.0 | nM | PMID[453764] |
NPT4177 | Individual Protein | NADPH oxidase 1 | Rattus norvegicus | Activity | = | 80.0 | % | PMID[453766] |
NPT4177 | Individual Protein | NADPH oxidase 1 | Rattus norvegicus | Activity | = | 64.0 | % | PMID[453766] |
NPT4177 | Individual Protein | NADPH oxidase 1 | Rattus norvegicus | Activity | = | 50.0 | % | PMID[453766] |
NPT4177 | Individual Protein | NADPH oxidase 1 | Rattus norvegicus | Activity | = | 41.0 | % | PMID[453766] |
NPT4177 | Individual Protein | NADPH oxidase 1 | Rattus norvegicus | Activity | = | 24.0 | % | PMID[453766] |
NPT1310 | Individual Protein | Xanthine dehydrogenase | Bos taurus | Inhibition | = | 49.0 | % | PMID[453767] |
NPT1512 | Individual Protein | Cell division protein kinase 5 | Rattus norvegicus | EC50 | = | 40000.0 | nM | PMID[453768] |
NPT1580 | Individual Protein | Salivary alpha-amylase | Homo sapiens | IC50 | = | 48000.0 | nM | PMID[453769] |
NPT1580 | Individual Protein | Salivary alpha-amylase | Homo sapiens | Inhibition | = | 99.4 | % | PMID[453769] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 11220.2 | nM | PMID[453771] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 8912.5 | nM | PMID[453772] |
NPT48 | Individual Protein | Lysine-specific demethylase 4D-like | Homo sapiens | Potency | = | 10000.0 | nM | PMID[453771] |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | = | 6309.6 | nM | PMID[453771] |
NPT46 | Individual Protein | Thyroid hormone receptor beta-1 | Homo sapiens | Potency | = | 50118.7 | nM | PMID[453772] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 14125.4 | nM | PMID[453771] |
NPT3 | Individual Protein | Thioredoxin glutathione reductase | Schistosoma mansoni | Potency | = | 39810.7 | nM | PMID[453771] |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 50118.7 | nM | PMID[453771] |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 50118.7 | nM | PMID[453772] |
NPT55 | Individual Protein | Putative fructose-1,6-bisphosphate aldolase | Giardia intestinalis | Potency | = | 17740.7 | nM | PMID[453772] |
NPT538 | Individual Protein | Niemann-Pick C1 protein | Homo sapiens | Potency | = | 5623.4 | nM | PMID[453771] |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 44668.4 | nM | PMID[453771] |
NPT59 | Individual Protein | DNA polymerase beta | Homo sapiens | Potency | = | 6309.6 | nM | PMID[453771] |
NPT60 | Individual Protein | Lysosomal alpha-glucosidase | Homo sapiens | Potency | = | 10000.0 | nM | PMID[453771] |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 12589.3 | nM | PMID[453772] |
NPT4178 | Individual Protein | M1-family aminopeptidase | Plasmodium falciparum 3D7 | IC50 | = | 15570.0 | nM | PMID[453771] |
NPT61 | Individual Protein | Beta-glucocerebrosidase | Homo sapiens | Potency | n.a. | 25118.9 | nM | PMID[453771] |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | n.a. | 31622.8 | nM | PMID[453773] |
NPT2629 | Individual Protein | FAD-linked sulfhydryl oxidase ALR | Homo sapiens | AC50 | = | 230.0 | nM | PMID[453773] |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[453771] |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | n.a. | 20587.8 | nM | PMID[453771] |
NPT63 | Individual Protein | Bromodomain adjacent to zinc finger domain protein 2B | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[453771] |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | n.a. | 12990.0 | nM | PMID[453771] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[453772] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | n.a. | 1995.3 | nM | PMID[453772] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | n.a. | 4466.8 | nM | PMID[453771] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Potency | n.a. | 11220.2 | nM | PMID[453773] |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | n.a. | 751.9 | nM | PMID[453772] |
NPT199 | Individual Protein | DNA polymerase kappa | Homo sapiens | Potency | n.a. | 5011.9 | nM | PMID[453773] |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | n.a. | 7943.3 | nM | PMID[453773] |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | n.a. | 19011.5 | nM | PMID[453771] |
NPT534 | Individual Protein | Phosphoglycerate kinase, glycosomal | Trypanosoma brucei brucei | Potency | n.a. | 31622.8 | nM | PMID[453773] |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | n.a. | 8912.5 | nM | PMID[453773] |
NPT477 | Individual Protein | DNA dC->dU-editing enzyme APOBEC-3G | Homo sapiens | Potency | n.a. | 35481.3 | nM | PMID[453773] |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | n.a. | 19952.6 | nM | PMID[453773] |
NPT101 | Individual Protein | Glucagon-like peptide 1 receptor | Homo sapiens | Potency | n.a. | 7943.3 | nM | PMID[453773] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 18356.4 | nM | PMID[453773] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 23109.3 | nM | PMID[453773] |
NPT444 | Individual Protein | Ubiquitin carboxyl-terminal hydrolase 1 | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[453773] |
NPT535 | Individual Protein | Parathyroid hormone receptor | Homo sapiens | Potency | n.a. | 44668.4 | nM | PMID[453773] |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | n.a. | 3162.3 | nM | PMID[453772] |
NPT49 | Individual Protein | DNA-(apurinic or apyrimidinic site) lyase | Homo sapiens | Potency | n.a. | 7079.5 | nM | PMID[453771] |
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[453773] |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | < | 100000.0 | nM | PMID[453765] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 99.4 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 73.0 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 66.5 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 109.1 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 102.3 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 108.9 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 131.5 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 105.7 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 76.4 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 108.6 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 34.7 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 121.0 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 83.0 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 55.2 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 51.2 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 45.4 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 55.1 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 52.9 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 36.8 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 85.8 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 19.8 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 74.7 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 85.4 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 81.6 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 84.9 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 66.0 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 54.9 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 31.8 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 40.9 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 24.9 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 92.8 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 85.0 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 90.6 | % | PMID[453766] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 88.6 | % | PMID[453766] |
NPT2 | Others | Unspecified | Activity | = | 41.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 98.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 104.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 51.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 42.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 12.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 50.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 39.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 54.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 45.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 46.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 40.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 19.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 87.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 83.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 86.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 77.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 71.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 69.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 78.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 23.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 29.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 18.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 102.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 96.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 82.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 103.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 105.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 94.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 90.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 99.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 97.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 101.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 93.0 | % | PMID[453766] | |
NPT2 | Others | Unspecified | Activity | = | 100.0 | % | PMID[453766] | |
NPT1593 | Tissue | Liver | Rattus norvegicus | Activity | = | 46.0 | % | PMID[453766] |
NPT1593 | Tissue | Liver | Rattus norvegicus | Activity | = | 15.0 | % | PMID[453766] |
NPT2 | Others | Unspecified | IC50 | = | 25000.0 | nM | PMID[453770] | |
NPT536 | Uncleic Acid | microRNA 21 | Homo sapiens | Potency | = | 5211.9 | nM | PMID[453771] |
NPT795 | Individual Protein | Zinc finger protein mex-5 | Caenorhabditis elegans | EC50 | = | 36029.0 | nM | PMID[453773] |
NPT2 | Others | Unspecified | EC50 | > | 110000.0 | nM | PMID[453773] | |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 12589.3 | nM | PMID[453772] |
NPT797 | Individual Protein | Cytoplasmic zinc-finger protein | Caenorhabditis elegans | EC50 | = | 93141.0 | nM | PMID[453773] |
NPT2 | Others | Unspecified | Potency | n.a. | 8912.5 | nM | PMID[453771] | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 1311.5 | nM | PMID[453771] |
NPT803 | Individual Protein | Flap endonuclease 1 | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[453773] |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | n.a. | 7943.3 | nM | PMID[453773] |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | n.a. | 3548.1 | nM | PMID[453773] |
NPT84 | Individual Protein | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Rattus norvegicus | AC50 | = | 12728.0 | nM | PMID[453773] |
NPT2 | Others | Unspecified | AC50 | = | 37190.0 | nM | PMID[453773] | |
NPT2 | Others | Unspecified | Potency | n.a. | 6309.6 | nM | PMID[453773] | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 1041.8 | nM | PMID[453771] |
NPT888 | Individual Protein | 78 kDa glucose-regulated protein | Homo sapiens | Potency | n.a. | 44668.4 | nM | PMID[453773] |
NPT888 | Individual Protein | 78 kDa glucose-regulated protein | Homo sapiens | Potency | n.a. | 19952.6 | nM | PMID[453772] |
NPT191 | Organism | Hepatitis C virus | Hepatitis C virus | EC50 | = | 33100.0 | nM | PMID[453774] |
NPT27 | Others | Unspecified | CC50 | > | 50000.0 | nM | PMID[453774] | |
NPT821 | Individual Protein | Werner syndrome ATP-dependent helicase | Homo sapiens | Potency | n.a. | 25118.9 | nM | PMID[453773] |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[453773] |
NPT2 | Others | Unspecified | IC50 | = | 9885.0 | nM | PMID[453771] | |
NPT2 | Others | Unspecified | Potency | n.a. | 1995.3 | nM | PMID[453773] | |
NPT867 | Individual Protein | Caspase-6 | Homo sapiens | AC50 | = | 29320.0 | nM | PMID[453771] |
NPT2 | Others | Unspecified | IC50 | = | 1835.0 | nM | PMID[453771] | |
NPT22758 | SINGLE PROTEIN | RNA-editing ligase 1, mitochondrial | Trypanosoma brucei brucei | IC50 | > | 96559.0 | nM | PMID[453771] |
NPT2 | Others | Unspecified | Potency | n.a. | 1122.0 | nM | PMID[453773] | |
NPT2 | Others | Unspecified | IC50 | = | 930.0 | nM | PMID[453775] |
☑ 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 NPC100887 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 | NPC156222 |
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 NPC100887 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.