Molecular Weight:   | 284.07 |
Volume:   | 282.482 |
LogP:   | 3.486 |
LogD:   | 2.902 |
LogS:   | -3.781 |
# Rotatable Bonds:   | 2 |
TPSA:   | 79.9 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 5 |
QED Drug-Likeness Score:   | 0.756 |
Synthetic Accessibility Score:   | 2.288 |
Fsp3:   | 0.062 |
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:   | -4.884 |
MDCK Permeability:   | 1.589528073964175e-05 |
Pgp-inhibitor:   | 0.454 |
Pgp-substrate:   | 0.019 |
Human Intestinal Absorption (HIA):   | 0.012 |
20% Bioavailability (F20%):   | 0.008 |
30% Bioavailability (F30%):   | 0.962 |
Blood-Brain-Barrier Penetration (BBB):   | 0.012 |
Plasma Protein Binding (PPB):   | 96.63146209716797% |
Volume Distribution (VD):   | 0.557 |
Pgp-substrate:   | 5.989288330078125% |
CYP1A2-inhibitor:   | 0.975 |
CYP1A2-substrate:   | 0.812 |
CYP2C19-inhibitor:   | 0.588 |
CYP2C19-substrate:   | 0.066 |
CYP2C9-inhibitor:   | 0.792 |
CYP2C9-substrate:   | 0.861 |
CYP2D6-inhibitor:   | 0.685 |
CYP2D6-substrate:   | 0.296 |
CYP3A4-inhibitor:   | 0.477 |
CYP3A4-substrate:   | 0.144 |
Clearance (CL):   | 4.507 |
Half-life (T1/2):   | 0.727 |
hERG Blockers:   | 0.02 |
Human Hepatotoxicity (H-HT):   | 0.085 |
Drug-inuced Liver Injury (DILI):   | 0.966 |
AMES Toxicity:   | 0.653 |
Rat Oral Acute Toxicity:   | 0.122 |
Maximum Recommended Daily Dose:   | 0.083 |
Skin Sensitization:   | 0.858 |
Carcinogencity:   | 0.447 |
Eye Corrosion:   | 0.005 |
Eye Irritation:   | 0.882 |
Respiratory Toxicity:   | 0.481 |
Natural Product ID:   | NPC131624 |
Common Name*:   | Wogonin |
IUPAC Name:   | 5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one |
Synonyms:   | Wogonin |
Standard InCHIKey:   | XLTFNNCXVBYBSX-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3 |
SMILES:   | COc1c(O)cc(c2c1oc(cc2=O)c1ccccc1)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL16171 |
PubChem CID:   |
5281703 |
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 |
---|---|---|---|---|---|---|---|---|
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | 2007; 2008 | DOI[10.1007/s11746-010-1589-7] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | root | n.a. | DOI[10.1021/np50075a009] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[11000020] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | cotyledon | n.a. |
PMID[11283027] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | Whole Plant | the surroundings of Uppsala, Sweden | 1998-SEP |
PMID[11421736] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | Entire plants | the surroundings of Uppsala, Sweden | 1998-SEP |
PMID[11421736] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | Root barks | n.a. | n.a. |
PMID[11473427] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | seed | n.a. |
PMID[12670184] |
NPO9096 | Scutellaria lateriflora | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12713409] |
NPO14915 | Uvaria acuminata | Species | Annonaceae | Eukaryota | n.a. | root | n.a. |
PMID[14709883] |
NPO11597 | Stellaria dichotoma | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15387643] |
NPO11597.1 | Stellaria dichotoma var. lanceolata | Under-species | Caryophyllaceae | Eukaryota | n.a. | root | n.a. |
PMID[15467234] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | root | n.a. |
PMID[15763368] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | root | n.a. |
PMID[15894448] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[15894448] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[16309325] |
NPO11597 | Stellaria dichotoma | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16309326] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | aerial parts | purchased in Juhuacun herbal market, Kunming, Yunnan Province, China | 2002-Oct |
PMID[16562826] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | Seoul, Korea | 2000-Jun |
PMID[16643034] |
NPO20111 | Anthemis auriculata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16643047] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | whole plant | n.a. |
PMID[16755060] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | root | n.a. |
PMID[17253088] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[17666848] |
NPO16755 | Saposhnikovia divaricata | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17703773] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | root bark | n.a. | n.a. |
PMID[18198838] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[18239311] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18357994] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruit | n.a. | n.a. |
PMID[18505286] |
NPO20111 | Anthemis auriculata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19299148] |
NPO9096 | Scutellaria lateriflora | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19555121] |
NPO9096 | Scutellaria lateriflora | Species | Lamiaceae | Eukaryota | aerial parts | n.a. | n.a. |
PMID[19555121] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruit | n.a. | n.a. |
PMID[19650637] |
NPO11748 | Eunicea knighti | Species | Plexauridae | Eukaryota | n.a. | Santa Marta Bay, Colombian Caribbean | 2007-MAY |
PMID[19778088] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19785430] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19829679] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19948405] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19962306] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20078074] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | root | n.a. |
PMID[21087019] |
NPO11597.1 | Stellaria dichotoma var. lanceolata | Under-species | Caryophyllaceae | Eukaryota | roots | n.a. | n.a. |
PMID[21090796] |
NPO11597.1 | Stellaria dichotoma var. lanceolata | Under-species | Caryophyllaceae | Eukaryota | n.a. | root | n.a. |
PMID[21090796] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | seed | n.a. |
PMID[21348467] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[21401114] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[21598983] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[22026410] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22314230] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[22537213] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[23305920] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23521110] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | seed | n.a. |
PMID[23672042] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | n.a. | seed | n.a. |
PMID[24895551] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25068786] |
NPO9096 | Scutellaria lateriflora | Species | Lamiaceae | Eukaryota | aerial part | n.a. | n.a. |
PMID[25442304] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | whole plants | Nanning District, Guangxi Province, China | 2012-Sep |
PMID[25647077] |
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25749794] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25844502] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | roots | n.a. | n.a. |
PMID[26259802] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | aerial parts | Seoul, Korea | n.a. |
PMID[26331882] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26767291] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | bark | n.a. |
PMID[26767291] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | Peanut Skins | n.a. | n.a. |
PMID[28231711] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30758201] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32141747] |
NPO17543 | Stizophyllum riparium | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[3598599] |
NPO19198 | Kalmia latifolia | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[521818] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | kernel | n.a. |
PMID[7092570] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8377022] |
NPO29667 | Scutellariae radix | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[9214730] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9784154] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9834167] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | Seed | n.a. | n.a. | Database[FooDB] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | Database[FooDB] | |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | Database[FooDB] | |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | Leaf | n.a. | n.a. | Database[FooDB] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | Oil | n.a. | n.a. | Database[FooDB] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO19498 | Caesalpinia tinctoria | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25459 | Scutellaria rehderiana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1161 | Physalis minima | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16755 | Saposhnikovia divaricata | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22077 | Dioscorea tokoro | Species | Dioscoreaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19994 | Scutellaria viscidula | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13473 | Anodendron affine | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5431 | Scutellaria likiangensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14915 | Uvaria acuminata | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21524 | Scutellaria hypericifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO20846 | Sophora japonica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11597.1 | Stellaria dichotoma var. lanceolata | Under-species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19198 | Kalmia latifolia | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12972 | Scutellaria epilobifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[MetaboLights] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | Oils | n.a. | Database[Phenol-Explorer] | |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | Seeds | n.a. | Database[Phenol-Explorer] | |
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19994 | Scutellaria viscidula | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO20846 | Sophora japonica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19198 | Kalmia latifolia | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5431 | Scutellaria likiangensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14915 | Uvaria acuminata | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21524 | Scutellaria hypericifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19498 | Caesalpinia tinctoria | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12972 | Scutellaria epilobifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13473 | Anodendron affine | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1161 | Physalis minima | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11597.1 | Stellaria dichotoma var. lanceolata | Under-species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25459 | Scutellaria rehderiana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22077 | Dioscorea tokoro | Species | Dioscoreaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16755 | Saposhnikovia divaricata | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO20846 | Sophora japonica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5431 | Scutellaria likiangensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22077 | Dioscorea tokoro | Species | Dioscoreaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO19994 | Scutellaria viscidula | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO11597 | Stellaria dichotoma | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1161 | Physalis minima | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21524 | Scutellaria hypericifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO31378 | Scutellaria balcalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO25459 | Scutellaria rehderiana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO19198 | Kalmia latifolia | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Title] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO11597 | Stellaria dichotoma | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO16755 | Saposhnikovia divaricata | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | 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] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO20846 | Sophora japonica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17543 | Stizophyllum riparium | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22522 | Senecio speciosus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24846 | Astragalus membranaceus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19498 | Caesalpinia tinctoria | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22077 | Dioscorea tokoro | Species | Dioscoreaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5649 | Coptis chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28877 | Scutellaria baicalensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15658 | Utricularia vulgaris | Species | Lentibulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22622 | Coptis deltoidea | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19198 | Kalmia latifolia | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14691.1 | Crambe hispanica subsp. abyssinica | Subspecies | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10830 | Dictamnus dasycarpus | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1484 | Bupleurum scorzonerifolium | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29401 | Bupleurum chinense | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5431 | Scutellaria likiangensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14992 | Prunus persica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1161 | Physalis minima | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16610 | Chromodoris hamiltoni | Species | Chromodorididae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23030 | Dalbergia nigra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14915 | Uvaria acuminata | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17023 | Cusparia macrocarpa | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1020 | Petrosimonia monandra | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22340 | Medicosma cunninghamii | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25459 | Scutellaria rehderiana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11597 | Stellaria dichotoma | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13757 | Coptis japonica | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29008 | Coptis teeta | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15715 | Astragalus mongholicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22720 | Kopsia hainanensis | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25426 | Arachis hypogaea | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16730 | Helichrysum lindleyi | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9096 | Scutellaria lateriflora | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21324 | Plantago major | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3428 | Undaria pinnatifida | Species | Alariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19994 | Scutellaria viscidula | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11748 | Eunicea knighti | Species | Plexauridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26084 | Vincetoxicum amplexicaule | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3962 | Parinari campestris | Species | Chrysobalanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23145 | Andropogon jwarancusa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21928 | Clathrotropis brachypetala | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13473 | Anodendron affine | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13167 | Scutellaria amoena | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20111 | Anthemis auriculata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21524 | Scutellaria hypericifolia | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22242 | Phellodendron chinense | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24254 | Euphorbia sapinii | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20846 | Sophora japonica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16850 | Eucommia ulmoides | Species | Eucommiaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT581 | Individual Protein | Cyclooxygenase-2 | Mus musculus | Inhibition | = | 98.8 | % | PMID[469747] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 1080.0 | nM | PMID[469747] |
NPT1310 | Individual Protein | Xanthine dehydrogenase | Bos taurus | Inhibition | = | 50.2 | % | PMID[469748] |
NPT1310 | Individual Protein | Xanthine dehydrogenase | Bos taurus | IC50 | = | 176100.0 | nM | PMID[469748] |
NPT581 | Individual Protein | Cyclooxygenase-2 | Mus musculus | Inhibition | = | 103.0 | % | PMID[469750] |
NPT581 | Individual Protein | Cyclooxygenase-2 | Mus musculus | IC50 | = | 1070.0 | nM | PMID[469750] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Activity | = | 111.0 | % | PMID[469750] |
NPT31 | Individual Protein | Cyclooxygenase-2 | Homo sapiens | IC50 | = | 46000.0 | nM | PMID[469752] |
NPT1785 | Individual Protein | Serotonin 7 (5-HT7) receptor | Homo sapiens | IC50 | > | 350000.0 | nM | PMID[469753] |
NPT3089 | Cell Line | SW1353 | Homo sapiens | IC50 | = | 39000.0 | nM | PMID[469754] |
NPT226 | Individual Protein | Beta-2 adrenergic receptor | Homo sapiens | Potency | n.a. | 20596.2 | nM | PMID[469756] |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | n.a. | 37933.0 | nM | PMID[469756] |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | n.a. | 50118.7 | nM | PMID[469756] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 19.2 | % | PMID[469757] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 9.6 | % | PMID[469757] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 7.8 | % | PMID[469757] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 16.6 | % | PMID[469757] |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | n.a. | 1000.0 | nM | PMID[469756] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[469756] |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | n.a. | 12589.3 | nM | PMID[469756] |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Activity | = | 37.3 | % | PMID[469758] |
NPT108 | Individual Protein | Estrogen receptor alpha | Homo sapiens | Activity | = | 36.36 | % | PMID[469758] |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | n.a. | 90573.26 | nM | PMID[469759] |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | n.a. | 84722.74 | nM | PMID[469759] |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | n.a. | 42559.84 | nM | PMID[469759] |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | n.a. | 2582.26 | nM | PMID[469759] |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | n.a. | 31405.09 | nM | PMID[469759] |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | n.a. | 21527.82 | nM | PMID[469759] |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[469759] |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | n.a. | 42461.96 | nM | PMID[469759] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | n.a. | 23550.49 | nM | PMID[469759] |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | n.a. | 85310.01 | nM | PMID[469759] |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | n.a. | 34197.94 | nM | PMID[469759] |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | n.a. | 25118.86 | nM | PMID[469759] |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | n.a. | 24490.63 | nM | PMID[469759] |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | n.a. | 21677.04 | nM | PMID[469759] |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | n.a. | 36057.86 | nM | PMID[469759] |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | n.a. | 60534.09 | nM | PMID[469759] |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | n.a. | 63241.19 | nM | PMID[469759] |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | n.a. | 52360.04 | nM | PMID[469759] |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | n.a. | 49659.23 | nM | PMID[469759] |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | n.a. | 58748.94 | nM | PMID[469759] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[469759] |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | n.a. | 22080.05 | nM | PMID[469759] |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | n.a. | 54075.43 | nM | PMID[469759] |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | n.a. | 60813.5 | nM | PMID[469759] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | n.a. | 40550.85 | nM | PMID[469759] |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | n.a. | 69023.98 | nM | PMID[469759] |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | n.a. | 33962.53 | nM | PMID[469759] |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | n.a. | 55847.02 | nM | PMID[469759] |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | n.a. | 17458.22 | nM | PMID[469759] |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | n.a. | 77446.18 | nM | PMID[469759] |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | n.a. | 55207.74 | nM | PMID[469759] |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | n.a. | 22438.82 | nM | PMID[469759] |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | n.a. | 43651.58 | nM | PMID[469759] |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | n.a. | 42854.85 | nM | PMID[469759] |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | n.a. | 35237.09 | nM | PMID[469759] |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | n.a. | 56104.8 | nM | PMID[469759] |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | n.a. | 35075.19 | nM | PMID[469759] |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | n.a. | 37931.5 | nM | PMID[469759] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | n.a. | 24322.04 | nM | PMID[469759] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | n.a. | 35563.13 | nM | PMID[469759] |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | n.a. | 61517.69 | nM | PMID[469759] |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | n.a. | 51050.5 | nM | PMID[469759] |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | n.a. | 77803.66 | nM | PMID[469759] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | n.a. | 26242.19 | nM | PMID[469759] |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | n.a. | 35075.19 | nM | PMID[469759] |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | n.a. | 48640.72 | nM | PMID[469759] |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | n.a. | 65463.62 | nM | PMID[469759] |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | n.a. | 34514.37 | nM | PMID[469759] |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | n.a. | 18663.8 | nM | PMID[469759] |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | n.a. | 29444.22 | nM | PMID[469759] |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | n.a. | 51880.0 | nM | PMID[469759] |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | n.a. | 87902.25 | nM | PMID[469759] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | n.a. | 26977.39 | nM | PMID[469759] |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | n.a. | 40926.07 | nM | PMID[469759] |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[469759] |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | n.a. | 51880.0 | nM | PMID[469759] |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | n.a. | 17498.47 | nM | PMID[469759] |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | n.a. | 64268.77 | nM | PMID[469759] |
NPT270 | Individual Protein | Nitric oxide synthase, inducible | Mus musculus | Inhibition | = | 40.0 | % | PMID[469760] |
NPT270 | Individual Protein | Nitric oxide synthase, inducible | Mus musculus | IC50 | = | 7800.0 | nM | PMID[469760] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 16360.1 | nM | PMID[469756] |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | n.a. | 35481.3 | nM | PMID[469756] |
NPT157 | Individual Protein | Breast cancer type 1 susceptibility protein | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[469756] |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | -1.48 | % | PMID[469761] |
NPT1380 | Individual Protein | Avian myoblastosis virus polyprotein II | Avian myeloblastosis virus | Inhibition | = | 36.8 | % | PMID[469762] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 29092.9 | nM | PMID[469756] |
NPT446 | Individual Protein | Rap guanine nucleotide exchange factor 3 | Homo sapiens | Potency | n.a. | 125892.5 | nM | PMID[469756] |
NPT31 | Individual Protein | Cyclooxygenase-2 | Homo sapiens | IC50 | = | 46000.0 | nM | PMID[469765] |
NPT31 | Individual Protein | Cyclooxygenase-2 | Homo sapiens | IC50 | = | 46000.0 | nM | PMID[469766] |
NPT660 | Cell Line | SW480 | Homo sapiens | IC50 | = | 35060.0 | nM | PMID[469767] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 39550.0 | nM | PMID[469767] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 37890.0 | nM | PMID[469767] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 19000.0 | nM | PMID[469768] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 15800.0 | nM | PMID[469768] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 19054.61 | nM | PMID[469768] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 20100.0 | nM | PMID[469769] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 28000.0 | nM | PMID[469769] |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 26400.0 | nM | PMID[469769] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 19500.0 | nM | PMID[469769] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 17600.0 | nM | PMID[469772] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 42300.0 | nM | PMID[469772] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 27300.0 | nM | PMID[469772] |
NPT1649 | Cell Line | MV4-11 | Homo sapiens | IC50 | = | 30700.0 | nM | PMID[469772] |
NPT1371 | Individual Protein | Cyclin-dependent kinase 2 | Homo sapiens | IC50 | = | 1460.0 | nM | PMID[469773] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 30000.0 | nM | PMID[469774] |
NPT1385 | Individual Protein | Histone-lysine N-methyltransferase SETD7 | Homo sapiens | Inhibition | = | 4.0 | % | PMID[469775] |
NPT1385 | Individual Protein | Histone-lysine N-methyltransferase SETD7 | Homo sapiens | Inhibition | = | 10.0 | % | PMID[469775] |
NPT1385 | Individual Protein | Histone-lysine N-methyltransferase SETD7 | Homo sapiens | Inhibition | = | 19.0 | % | PMID[469775] |
NPT2 | Others | Unspecified | IC50 | > | 100000.0 | nM | PMID[469745] | |
NPT996 | Protein Complex | GABA-A receptor; anion channel | Homo sapiens | Ki | = | 2041.74 | nM | PMID[469746] |
NPT2 | Others | Unspecified | logKi | = | 0.182 | n.a. | PMID[469749] | |
NPT1644 | Protein Family | Trypsin | Homo sapiens | IC50 | = | 105000.0 | nM | PMID[469751] |
NPT2 | Others | Unspecified | Potency | n.a. | 9200.0 | nM | PMID[469756] | |
NPT2 | Others | Unspecified | Potency | n.a. | 12589.3 | nM | PMID[469756] | |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | -5.86 | % | PMID[469761] |
NPT1175 | Organism | Spodoptera litura | Spodoptera litura | ED50 | = | 2.0 | umol/cm2 | PMID[469763] |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | IC50 | = | 4.0 | ug.mL-1 | PMID[469764] |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | Inhibition | = | 45.4 | % | PMID[469764] |
NPT2 | Others | Unspecified | Potency | n.a. | 11220.2 | nM | PMID[469756] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 36870.0 | nM | PMID[469767] |
NPT27 | Others | Unspecified | IC50 | > | 40000.0 | nM | PMID[469767] | |
NPT2 | Others | Unspecified | IC50 | = | 16500.0 | nM | PMID[469768] | |
NPT21762 | SINGLE PROTEIN | Lysine-specific histone demethylase 1 | Homo sapiens | IC50 | = | 8870.0 | nM | PMID[469770] |
NPT329 | Organism | Trichophyton rubrum | Trichophyton rubrum | MIC | = | 60.0 | ug.mL-1 | PMID[469771] |
NPT330 | Organism | Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | = | 60.0 | ug.mL-1 | PMID[469771] |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | MIC | = | 230.0 | ug.mL-1 | PMID[469771] |
NPT4158 | Protein Complex | CDK2/Cyclin A | Homo sapiens | Inhibition | = | 40.7 | % | PMID[469772] |
NPT4092 | Protein Complex | CDK9/cyclin T1 | Homo sapiens | Inhibition | = | 67.8 | % | PMID[469772] |
NPT35 | Others | n.a. | Solubility | = | 149.0 | ug.mL-1 | PMID[469772] | |
NPT35 | Others | n.a. | Solubility | = | 13.0 | ug.mL-1 | PMID[469772] | |
NPT35 | Others | n.a. | LogD | = | 1.18 | n.a. | PMID[469772] | |
NPT4092 | Protein Complex | CDK9/cyclin T1 | Homo sapiens | IC50 | = | 190.0 | nM | PMID[469772] |
NPT4092 | Protein Complex | CDK9/cyclin T1 | Homo sapiens | IC50 | = | 198.0 | nM | PMID[469772] |
NPT4158 | Protein Complex | CDK2/Cyclin A | Homo sapiens | IC50 | = | 1460.0 | nM | PMID[469772] |
NPT4092 | Protein Complex | CDK9/cyclin T1 | Homo sapiens | IC50 | = | 190.0 | nM | PMID[469773] |
NPT24345 | PROTEIN COMPLEX | CDK7/Cyclin H/MNAT1 | Homo sapiens | IC50 | = | 12300.0 | nM | PMID[469773] |
☑ 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 NPC131624 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 | 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 | 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 NPC131624 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.