Molecular Weight:   | 350.21 |
Volume:   | 364.849 |
LogP:   | 1.754 |
LogD:   | 1.245 |
LogS:   | -2.836 |
# Rotatable Bonds:   | 3 |
TPSA:   | 86.99 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 3 |
# Rings:   | 3 |
# Heavy Atoms:   | 5 |
QED Drug-Likeness Score:   | 0.534 |
Synthetic Accessibility Score:   | 4.942 |
Fsp3:   | 0.75 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.818 |
MDCK Permeability:   | 2.8512931748991832e-05 |
Pgp-inhibitor:   | 0.0 |
Pgp-substrate:   | 0.536 |
Human Intestinal Absorption (HIA):   | 0.019 |
20% Bioavailability (F20%):   | 0.108 |
30% Bioavailability (F30%):   | 0.177 |
Blood-Brain-Barrier Penetration (BBB):   | 0.826 |
Plasma Protein Binding (PPB):   | 36.142127990722656% |
Volume Distribution (VD):   | 0.557 |
Pgp-substrate:   | 57.75540542602539% |
CYP1A2-inhibitor:   | 0.029 |
CYP1A2-substrate:   | 0.113 |
CYP2C19-inhibitor:   | 0.009 |
CYP2C19-substrate:   | 0.449 |
CYP2C9-inhibitor:   | 0.003 |
CYP2C9-substrate:   | 0.066 |
CYP2D6-inhibitor:   | 0.002 |
CYP2D6-substrate:   | 0.201 |
CYP3A4-inhibitor:   | 0.56 |
CYP3A4-substrate:   | 0.188 |
Clearance (CL):   | 5.338 |
Half-life (T1/2):   | 0.668 |
hERG Blockers:   | 0.02 |
Human Hepatotoxicity (H-HT):   | 0.023 |
Drug-inuced Liver Injury (DILI):   | 0.058 |
AMES Toxicity:   | 0.719 |
Rat Oral Acute Toxicity:   | 0.586 |
Maximum Recommended Daily Dose:   | 0.966 |
Skin Sensitization:   | 0.127 |
Carcinogencity:   | 0.032 |
Eye Corrosion:   | 0.005 |
Eye Irritation:   | 0.111 |
Respiratory Toxicity:   | 0.592 |
Natural Product ID:   | NPC124512 |
Common Name*:   | Andrographolide |
IUPAC Name:   | (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one |
Synonyms:   | Andrographolide |
Standard InCHIKey:   | BOJKULTULYSRAS-OTESTREVSA-N |
Standard InCHI:   | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 |
SMILES:   | C=C1CC[C@H]2[C@@](C)(CC[C@H]([C@@]2(C)CO)O)[C@@H]1C/C=C/1[C@@H](COC1=O)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL186141 |
PubChem CID:   |
5318517 |
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 |
---|---|---|---|---|---|---|---|---|
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[15894448] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | root | n.a. |
PMID[15894448] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | aerial parts | purchased in Juhuacun herbal market, Kunming, Yunnan Province, China | 2002-Oct |
PMID[16562826] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18357994] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19919095] |
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] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | flower buds and leaves | Khon Kaen province, Thailand | 2010 |
PMID[23270663] |
NPO21040 | Ambrosia artemisiifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23501116] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Leaves | n.a. | n.a. |
PMID[23642481] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Flowers | n.a. | n.a. |
PMID[26462418] |
NPO21040 | Ambrosia artemisiifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31009220] |
NPO40043 | Basilicum polystachyon | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31553187] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8377022] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Rhizome | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21040 | Ambrosia artemisiifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21040 | Ambrosia artemisiifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | 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] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21040 | Ambrosia artemisiifolia | Species | Asteraceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | n.a. | 6740 | nM | PubChem BioAssay data set |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | n.a. | 33491.5 | nM | PubChem BioAssay data set |
NPT376 | Cell Line | A498 | Homo sapiens | IG50 | = | 30.0 | uM | PMID[494507] |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | IG50 | = | 15.0 | uM | PMID[494507] |
NPT380 | Cell Line | U-251 | Homo sapiens | IG50 | = | 3.0 | uM | PMID[494507] |
NPT323 | Cell Line | SW-620 | Homo sapiens | IG50 | = | 10.0 | uM | PMID[494507] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | IG50 | = | 17.0 | uM | PMID[494507] |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | IG50 | = | 15.0 | uM | PMID[494507] |
NPT90 | Cell Line | DU-145 | Homo sapiens | IG50 | = | 20.0 | uM | PMID[494507] |
NPT1182 | Cell Line | J774.A1 | Mus musculus | Inhibition | = | 63.94 | % | PMID[494510] |
NPT1182 | Cell Line | J774.A1 | Mus musculus | Inhibition | = | 62.54 | % | PMID[494510] |
NPT1182 | Cell Line | J774.A1 | Mus musculus | Inhibition | = | 49.21 | % | PMID[494510] |
NPT1182 | Cell Line | J774.A1 | Mus musculus | Inhibition | = | 56.0 | % | PMID[494510] |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | = | 9330.0 | nM | PMID[494511] |
NPT466 | Cell Line | U-937 | Homo sapiens | IC50 | = | 12870.0 | nM | PMID[494516] |
NPT1970 | Cell Line | THP-1 | Homo sapiens | IC50 | = | 6690.0 | nM | PMID[494516] |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 41850.0 | nM | PMID[494516] |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 2.25 | uM | PMID[494518] |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 27.37 | uM | PMID[494518] |
NPT1851 | Cell Line | Col2 | Homo sapiens | ED50 | = | 13.6 | uM | PMID[494518] |
NPT83 | Cell Line | MCF7 | Homo sapiens | ED50 | = | 15.4 | uM | PMID[494518] |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | = | 12.98 | uM | PMID[494518] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 6960.0 | nM | PMID[494519] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Activity | = | 49.59 | % | PMID[494519] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Inhibition | = | 73.0 | % | PMID[494521] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Activity | = | 87.5 | % | PMID[494521] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Activity | = | 94.6 | % | PMID[494521] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Activity | = | 96.4 | % | PMID[494521] |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | 25.09 | % | PMID[494522] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 27000.0 | nM | PMID[494523] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 2660.9 | nM | PMID[494526] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 2985.5 | nM | PMID[494526] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 66000.0 | nM | PMID[494527] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | = | 23930.0 | nM | PMID[494527] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 15990.0 | nM | PMID[494528] |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | = | 13370.0 | nM | PMID[494528] |
NPT91 | Cell Line | KB | Homo sapiens | GI50 | = | 13180.0 | nM | PMID[494528] |
NPT515 | Cell Line | SGC-7901 | Homo sapiens | Inhibition | = | 17.7 | % | PMID[494530] |
NPT81 | Cell Line | A549 | Homo sapiens | Inhibition | = | 28.6 | % | PMID[494530] |
NPT515 | Cell Line | SGC-7901 | Homo sapiens | Inhibition | = | 20.8 | % | PMID[494530] |
NPT2295 | Cell Line | 5637 | Homo sapiens | GI | = | 44.0 | % | PMID[494530] |
NPT2295 | Cell Line | 5637 | Homo sapiens | Inhibition | = | 34.5 | % | PMID[494530] |
NPT83 | Cell Line | MCF7 | Homo sapiens | LC50 | = | 16000.0 | nM | PMID[494533] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | LC50 | < | 40000.0 | nM | PMID[494533] |
NPT71 | Cell Line | HEK293 | Homo sapiens | LC50 | = | 25000.0 | nM | PMID[494533] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 30820.0 | nM | PMID[494534] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 16550.0 | nM | PMID[494534] |
NPT163 | Individual Protein | Nuclear factor NF-kappa-B p105 subunit | Homo sapiens | IC50 | = | 49600.0 | nM | PMID[494535] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI | = | 76.52 | % | PMID[494536] |
NPT111 | Cell Line | K562 | Homo sapiens | GI | = | 34.47 | % | PMID[494536] |
NPT385 | Cell Line | SR | Homo sapiens | GI | = | 20.47 | % | PMID[494536] |
NPT81 | Cell Line | A549 | Homo sapiens | GI | = | 12.18 | % | PMID[494536] |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI | = | 8.26 | % | PMID[494536] |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI | = | 2.11 | % | PMID[494536] |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI | = | 7.26 | % | PMID[494536] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI | = | 2.02 | % | PMID[494536] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI | = | 82.87 | % | PMID[494536] |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI | = | 73.0 | % | PMID[494536] |
NPT386 | Cell Line | KM12 | Homo sapiens | GI | = | 19.76 | % | PMID[494536] |
NPT380 | Cell Line | U-251 | Homo sapiens | GI | = | 24.21 | % | PMID[494536] |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI | = | 0.22 | % | PMID[494536] |
NPT387 | Cell Line | M14 | Homo sapiens | GI | = | 15.12 | % | PMID[494536] |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI | = | 27.38 | % | PMID[494536] |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI | = | 4.54 | % | PMID[494536] |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI | = | 22.73 | % | PMID[494536] |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI | = | 15.29 | % | PMID[494536] |
NPT376 | Cell Line | A498 | Homo sapiens | GI | = | 12.21 | % | PMID[494536] |
NPT369 | Cell Line | ACHN | Homo sapiens | GI | = | 10.25 | % | PMID[494536] |
NPT368 | Cell Line | SN12C | Homo sapiens | GI | = | 18.27 | % | PMID[494536] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI | = | 42.25 | % | PMID[494536] |
NPT396 | Cell Line | T47D | Homo sapiens | GI | = | 12.24 | % | PMID[494536] |
NPT784 | Cell Line | MDA-MB-468 | Homo sapiens | GI | = | 58.0 | % | PMID[494536] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | Activity | = | 23.48 | % | PMID[494536] |
NPT111 | Cell Line | K562 | Homo sapiens | Activity | = | 65.53 | % | PMID[494536] |
NPT385 | Cell Line | SR | Homo sapiens | Activity | = | 79.53 | % | PMID[494536] |
NPT81 | Cell Line | A549 | Homo sapiens | Activity | = | 87.82 | % | PMID[494536] |
NPT394 | Cell Line | EKVX | Homo sapiens | Activity | = | 104.75 | % | PMID[494536] |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | Activity | = | 91.74 | % | PMID[494536] |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | Activity | = | 97.89 | % | PMID[494536] |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | Activity | = | 92.74 | % | PMID[494536] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | Activity | = | 97.98 | % | PMID[494536] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | Activity | = | 17.13 | % | PMID[494536] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 27.0 | % | PMID[494536] |
NPT386 | Cell Line | KM12 | Homo sapiens | Activity | = | 80.24 | % | PMID[494536] |
NPT380 | Cell Line | U-251 | Homo sapiens | Activity | = | 75.79 | % | PMID[494536] |
NPT375 | Cell Line | Malme-3M | Homo sapiens | Activity | = | 99.78 | % | PMID[494536] |
NPT387 | Cell Line | M14 | Homo sapiens | Activity | = | 84.88 | % | PMID[494536] |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | Activity | = | 72.62 | % | PMID[494536] |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | Activity | = | 95.46 | % | PMID[494536] |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | Activity | = | 77.27 | % | PMID[494536] |
NPT401 | Cell Line | 786-0 | Homo sapiens | Activity | = | 84.71 | % | PMID[494536] |
NPT376 | Cell Line | A498 | Homo sapiens | Activity | = | 87.79 | % | PMID[494536] |
NPT369 | Cell Line | ACHN | Homo sapiens | Activity | = | 89.75 | % | PMID[494536] |
NPT368 | Cell Line | SN12C | Homo sapiens | Activity | = | 81.73 | % | PMID[494536] |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 57.55 | % | PMID[494536] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | Activity | = | 106.75 | % | PMID[494536] |
NPT396 | Cell Line | T47D | Homo sapiens | Activity | = | 87.76 | % | PMID[494536] |
NPT784 | Cell Line | MDA-MB-468 | Homo sapiens | Activity | = | 42.0 | % | PMID[494536] |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 10.42 | ug.mL-1 | PMID[494537] |
NPT369 | Cell Line | ACHN | Homo sapiens | IC50 | = | 3.03 | ug.mL-1 | PMID[494537] |
NPT319 | Cell Line | B16 | Mus musculus | IC50 | = | 7.54 | ug.mL-1 | PMID[494537] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 9.71 | ug.mL-1 | PMID[494537] |
NPT38 | Individual Protein | Signal transducer and activator of transcription 3 | Homo sapiens | EC50 | > | 10000.0 | nM | PMID[494540] |
NPT165 | Cell Line | HeLa | Homo sapiens | CC10 | > | 10.0 | uM | PMID[494540] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 15400.0 | nM | PMID[494543] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 9340.0 | nM | PMID[494543] |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | = | 27370.0 | nM | PMID[494543] |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 2250.0 | nM | PMID[494543] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 27900.0 | nM | PMID[494543] |
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | = | 30000.0 | nM | PMID[494544] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Inhibition | = | 26.4 | % | PMID[494545] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Inhibition | = | 38.7 | % | PMID[494545] |
NPT737 | Cell Line | HUVEC | Homo sapiens | Inhibition | = | 10.4 | % | PMID[494545] |
NPT886 | Cell Line | NIH3T3 | Mus musculus | IC50 | = | 95280.0 | nM | PMID[494545] |
NPT34 | Cell Line | BV-2 | Mus musculus | Inhibition | = | 76.7 | % | PMID[494548] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 14420.0 | nM | PMID[494549] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 3000.0 | nM | PMID[494550] |
NPT540 | Individual Protein | Bile acid receptor FXR | Homo sapiens | IC50 | = | 9700.0 | nM | PMID[494550] |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 6520.0 | nM | PMID[494553] |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | = | 31730.0 | nM | PMID[494553] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 8910.0 | nM | PMID[494553] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 8480.0 | nM | PMID[494553] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 32020.0 | nM | PMID[494553] |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 12150.0 | nM | PMID[494555] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 29060.0 | nM | PMID[494555] |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | = | 41530.0 | nM | PMID[494555] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 10800.0 | nM | PMID[494555] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 2400.0 | nM | PMID[494556] |
NPT1383 | Cell Line | A2058 | Homo sapiens | IC50 | = | 26000.0 | nM | PMID[494556] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | > | 30000.0 | nM | PMID[494556] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 30000.0 | nM | PMID[494556] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | IC50 | > | 40000.0 | nM | PMID[494556] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 7000.0 | nM | PMID[494556] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 15000.0 | nM | PMID[494556] |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 2900.0 | nM | PMID[494556] |
NPT71 | Cell Line | HEK293 | Homo sapiens | CC50 | = | 26250.0 | nM | PMID[494557] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | CC50 | = | 10000.0 | nM | PMID[494557] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 17.0 | % | PMID[494557] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 30.0 | % | PMID[494557] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 62.0 | % | PMID[494557] |
NPT2 | Others | Unspecified | Potency | n.a. | 37578 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 9520.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 21131.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 29849.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 23710.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 26832.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 301.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 23914.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 8412.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 5955.7 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 1678.5 | nM | PubChem BioAssay data set | |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 1536.0 | n.a. | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 128.0 | n.a. | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 2.5 | mm | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 2.84 | n.a. | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 55.56 | % | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 6486.0 | cpm | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 1.6 | n.a. | PMID[494512] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 1280.0 | n.a. | PMID[494512] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | < | 4.0 | mm | PMID[494514] |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | < | 4.0 | mm | PMID[494514] |
NPT19 | Organism | Escherichia coli | Escherichia coli | IZ | < | 4.0 | mm | PMID[494514] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | < | 4.0 | mm | PMID[494514] |
NPT1548 | Organism | Pseudomonas aeruginosa PAO1 | Pseudomonas aeruginosa PAO1 | Survival | = | 90.1 | % | PMID[494514] |
NPT27 | Others | Unspecified | IC50 | = | 53800.0 | nM | PMID[494516] | |
NPT27 | Others | Unspecified | IC50 | = | 44500.0 | nM | PMID[494516] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | ED50 | = | 16.18 | uM | PMID[494518] |
NPT27 | Others | Unspecified | CC50 | = | 1696000.0 | nM | PMID[494520] | |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 590.0 | nM | PMID[494520] |
NPT27 | Others | Unspecified | Ratio CC50/IC50 | = | 2875.0 | n.a. | PMID[494520] | |
NPT24 | Organism | Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | = | 588.84 | nM | PMID[494520] |
NPT2 | Others | Unspecified | IC50 | = | 1700.0 | nM | PMID[494520] | |
NPT728 | Individual Protein | Serine/threonine-protein kinase AKT | Homo sapiens | Activity | = | 177.0 | % | PMID[494521] |
NPT728 | Individual Protein | Serine/threonine-protein kinase AKT | Homo sapiens | Activity | = | 36.0 | % | PMID[494521] |
NPT728 | Individual Protein | Serine/threonine-protein kinase AKT | Homo sapiens | Activity | = | 127.0 | % | PMID[494521] |
NPT728 | Individual Protein | Serine/threonine-protein kinase AKT | Homo sapiens | Activity | = | 111.0 | % | PMID[494521] |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | 8.56 | % | PMID[494522] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 23300.0 | nM | PMID[494523] |
NPT1369 | Organism | Henosepilachna vigintioctopunctata | Henosepilachna vigintioctopunctata | Activity | = | -16.76 | % | PMID[494524] |
NPT1369 | Organism | Henosepilachna vigintioctopunctata | Henosepilachna vigintioctopunctata | Activity | = | 24.26 | % | PMID[494524] |
NPT1369 | Organism | Henosepilachna vigintioctopunctata | Henosepilachna vigintioctopunctata | Activity | = | -10.95 | % | PMID[494524] |
NPT1369 | Organism | Henosepilachna vigintioctopunctata | Henosepilachna vigintioctopunctata | Activity | = | 54.06 | % | PMID[494524] |
NPT1369 | Organism | Henosepilachna vigintioctopunctata | Henosepilachna vigintioctopunctata | Activity | = | -52.38 | % | PMID[494524] |
NPT1369 | Organism | Henosepilachna vigintioctopunctata | Henosepilachna vigintioctopunctata | Activity | = | 1.04 | % | PMID[494524] |
NPT1769 | Organism | Mythimna separata | Mythimna separata | AFI | = | 9.6 | % | PMID[494525] |
NPT1769 | Organism | Mythimna separata | Mythimna separata | AFI | = | 26.7 | % | PMID[494525] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI50 | = | 13820.0 | nM | PMID[494528] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 27.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 26.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 28.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 16.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 14.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 12.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 15.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 10.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 21.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 20.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 13.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 29.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 30.0 | % | PMID[494529] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Activity | = | 18.0 | % | PMID[494529] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 33.0 | % | PMID[494529] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 36.0 | % | PMID[494529] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 38.0 | % | PMID[494529] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 45.0 | % | PMID[494529] |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 84.72 | % | PMID[494531] |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 80.16 | % | PMID[494531] |
NPT2 | Others | Unspecified | Potency | n.a. | 28183.8 | nM | PMID[494526] | |
NPT2 | Others | Unspecified | Potency | n.a. | 11220.2 | nM | PMID[494526] | |
NPT2 | Others | Unspecified | Potency | n.a. | 19952.6 | nM | PMID[494526] | |
NPT35 | Others | n.a. | LogP | = | 0.52 | n.a. | PMID[494532] | |
NPT27 | Others | Unspecified | CC50 | = | 198000.0 | nM | PMID[494532] | |
NPT963 | Organism | Hepatitis B virus | Hepatitis B virus | IC50 | = | 54100.0 | nM | PMID[494532] |
NPT2 | Others | Unspecified | Ratio CC50/IC50 | = | 3.7 | n.a. | PMID[494532] | |
NPT27 | Others | Unspecified | LC50 | > | 40000.0 | nM | PMID[494533] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 32520.0 | nM | PMID[494534] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 21240.0 | nM | PMID[494534] |
NPT27 | Others | Unspecified | Activity | = | 35.3 | % | PMID[494535] | |
NPT27 | Others | Unspecified | Activity | = | 9.1 | % | PMID[494535] | |
NPT27 | Others | Unspecified | Activity | = | 1.39 | % | PMID[494535] | |
NPT27 | Others | Unspecified | Activity | = | 54.21 | % | PMID[494535] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 1.89 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 16.72 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 3.73 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 5.1 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 39.99 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 38.11 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 55.71 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 2.34 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 16.59 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 11.97 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 38.05 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 78.16 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 23.49 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 30.08 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 40.83 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 17.13 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 15.52 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 16.52 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 3.3 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 2.51 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 10.4 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 6.6 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 19.94 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 12.89 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 100.04 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 98.11 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 83.28 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 96.27 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 107.7 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 94.9 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 114.39 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 60.01 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 61.89 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 44.29 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 97.66 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 113.89 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 83.41 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 88.03 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 61.95 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 21.84 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 76.51 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 69.92 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 103.71 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 59.17 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 82.87 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 104.24 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 84.48 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 83.75 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 103.76 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 96.7 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 125.24 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 97.49 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 89.6 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 93.4 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 80.06 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 110.33 | % | PMID[494536] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 87.11 | % | PMID[494536] |
NPT27 | Others | Unspecified | IC50 | = | 8.26 | ug.mL-1 | PMID[494537] | |
NPT2 | Others | Unspecified | GI50 | = | 16200.0 | nM | PMID[494539] | |
NPT2 | Others | Unspecified | TGI | = | 49700.0 | nM | PMID[494539] | |
NPT2 | Others | Unspecified | LC50 | = | 80900.0 | nM | PMID[494539] | |
NPT26216 | CELL-LINE | AD293 | Homo sapiens | CC10 | > | 10.0 | uM | PMID[494540] |
NPT2 | Others | Unspecified | IC50 | = | 2300.0 | nM | PMID[494541] | |
NPT1209 | Organism | Pseudomonas fluorescens | Pseudomonas fluorescens | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT729 | Organism | Micrococcus luteus | Micrococcus luteus | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT20950 | CELL-LINE | Erythrocyte | n.a. | Activity | = | 8.5 | % | PMID[494542] |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT923 | Organism | Rhizopus oryzae | Rhizopus oryzae | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT87 | Organism | Aspergillus fumigatus | Aspergillus fumigatus | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 128.0 | ug.mL-1 | PMID[494542] |
NPT2 | Others | Unspecified | IC50 | = | 16180.0 | nM | PMID[494543] | |
NPT2 | Others | Unspecified | IC50 | = | 100000.0 | nM | PMID[494547] | |
NPT26217 | SINGLE PROTEIN | Hexokinase type II | Homo sapiens | IC50 | > | 50000.0 | nM | PMID[494549] |
NPT2 | Others | Unspecified | GI50 | = | 3000.0 | nM | PMID[494550] | |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 64.0 | % | PMID[494550] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 54.0 | % | PMID[494550] |
NPT194 | Organism | Dengue virus 2 | Dengue virus 2 | EC50 | = | 21304.0 | nM | PMID[494552] |
NPT194 | Organism | Dengue virus 2 | Dengue virus 2 | EC50 | = | 22739.0 | nM | PMID[494552] |
NPT2 | Others | Unspecified | IC50 | = | 34810.0 | nM | PMID[494553] | |
NPT2 | Others | Unspecified | IC50 | = | 9360.0 | nM | PMID[494553] | |
NPT25412 | CELL-LINE | HuCC-A1 | Homo sapiens | IC50 | = | 23610.0 | nM | PMID[494553] |
NPT2 | Others | Unspecified | IC50 | = | 17730.0 | nM | PMID[494553] | |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 100000.0 | nM | PMID[494554] |
NPT22224 | CELL-LINE | Vero C1008 | Chlorocebus sabaeus | CC50 | ~ | 21600.0 | nM | PMID[494554] |
NPT22224 | CELL-LINE | Vero C1008 | Chlorocebus sabaeus | pCC50 | ~ | 4.67 | n.a. | PMID[494554] |
NPT2 | Others | Unspecified | IC50 | = | 45410.0 | nM | PMID[494555] | |
NPT2 | Others | Unspecified | IC50 | = | 33850.0 | nM | PMID[494555] | |
NPT2 | Others | Unspecified | IC50 | = | 30210.0 | nM | PMID[494555] | |
NPT2 | Others | Unspecified | IC50 | = | 6910.0 | nM | PMID[494555] | |
NPT27 | Others | Unspecified | K | = | 0.088 | /M/hr | PMID[494557] | |
NPT27 | Others | Unspecified | T1/2 | = | 5.46 | hr | PMID[494557] | |
NPT21742 | CELL-LINE | L02 | Homo sapiens | CC50 | = | 14680.0 | nM | PMID[494557] |
☑ 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 NPC124512 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 | NPC159763 |
1.0 | High Similarity | NPC278386 |
0.9674 | High Similarity | NPC73911 |
0.9341 | High Similarity | NPC72845 |
0.914 | High Similarity | NPC57117 |
0.9121 | High Similarity | NPC474396 |
0.9121 | High Similarity | NPC79027 |
0.9121 | High Similarity | NPC50488 |
0.8947 | High Similarity | NPC242848 |
0.883 | High Similarity | NPC53555 |
0.8791 | High Similarity | NPC329692 |
0.8776 | High Similarity | NPC303559 |
0.875 | High Similarity | NPC264153 |
0.875 | High Similarity | NPC473153 |
0.866 | High Similarity | NPC474343 |
0.8632 | High Similarity | NPC152778 |
0.8632 | High Similarity | NPC162615 |
0.8632 | High Similarity | NPC205034 |
0.8632 | High Similarity | NPC139692 |
0.8617 | High Similarity | NPC78973 |
0.8587 | High Similarity | NPC131813 |
0.8571 | High Similarity | NPC473154 |
0.8557 | High Similarity | NPC234993 |
0.8557 | High Similarity | NPC134072 |
0.8529 | High Similarity | NPC67321 |
0.8529 | High Similarity | NPC187435 |
0.8526 | High Similarity | NPC472814 |
0.8526 | High Similarity | NPC177037 |
0.8515 | High Similarity | NPC296950 |
0.8515 | High Similarity | NPC146731 |
0.8495 | Intermediate Similarity | NPC473891 |
0.8485 | Intermediate Similarity | NPC38855 |
0.8485 | Intermediate Similarity | NPC474012 |
0.8485 | Intermediate Similarity | NPC476299 |
0.8478 | Intermediate Similarity | NPC476602 |
0.8476 | Intermediate Similarity | NPC269530 |
0.8454 | Intermediate Similarity | NPC183012 |
0.8447 | Intermediate Similarity | NPC306265 |
0.8438 | Intermediate Similarity | NPC472812 |
0.8421 | Intermediate Similarity | NPC182136 |
0.8421 | Intermediate Similarity | NPC310479 |
0.8416 | Intermediate Similarity | NPC159533 |
0.8384 | Intermediate Similarity | NPC316598 |
0.8367 | Intermediate Similarity | NPC16967 |
0.8365 | Intermediate Similarity | NPC475065 |
0.8351 | Intermediate Similarity | NPC191521 |
0.835 | Intermediate Similarity | NPC330011 |
0.835 | Intermediate Similarity | NPC329048 |
0.8333 | Intermediate Similarity | NPC470493 |
0.8333 | Intermediate Similarity | NPC140055 |
0.8333 | Intermediate Similarity | NPC472811 |
0.8333 | Intermediate Similarity | NPC470492 |
0.8333 | Intermediate Similarity | NPC20302 |
0.8333 | Intermediate Similarity | NPC167606 |
0.8333 | Intermediate Similarity | NPC312824 |
0.8333 | Intermediate Similarity | NPC286528 |
0.8333 | Intermediate Similarity | NPC183580 |
0.8318 | Intermediate Similarity | NPC67259 |
0.8318 | Intermediate Similarity | NPC147912 |
0.8317 | Intermediate Similarity | NPC472815 |
0.8316 | Intermediate Similarity | NPC82876 |
0.83 | Intermediate Similarity | NPC47024 |
0.8298 | Intermediate Similarity | NPC166857 |
0.8286 | Intermediate Similarity | NPC235014 |
0.8283 | Intermediate Similarity | NPC475709 |
0.8283 | Intermediate Similarity | NPC287668 |
0.8269 | Intermediate Similarity | NPC475418 |
0.8269 | Intermediate Similarity | NPC473482 |
0.8269 | Intermediate Similarity | NPC318363 |
0.8261 | Intermediate Similarity | NPC311070 |
0.8261 | Intermediate Similarity | NPC79945 |
0.8257 | Intermediate Similarity | NPC50774 |
0.8257 | Intermediate Similarity | NPC709 |
0.8252 | Intermediate Similarity | NPC477125 |
0.8247 | Intermediate Similarity | NPC115021 |
0.8235 | Intermediate Similarity | NPC476237 |
0.8235 | Intermediate Similarity | NPC471938 |
0.8229 | Intermediate Similarity | NPC221111 |
0.8229 | Intermediate Similarity | NPC280149 |
0.8229 | Intermediate Similarity | NPC51486 |
0.8218 | Intermediate Similarity | NPC308824 |
0.8211 | Intermediate Similarity | NPC104560 |
0.82 | Intermediate Similarity | NPC474440 |
0.819 | Intermediate Similarity | NPC474243 |
0.8182 | Intermediate Similarity | NPC264954 |
0.8173 | Intermediate Similarity | NPC473284 |
0.8163 | Intermediate Similarity | NPC470697 |
0.8155 | Intermediate Similarity | NPC471937 |
0.8144 | Intermediate Similarity | NPC186363 |
0.8144 | Intermediate Similarity | NPC233345 |
0.8137 | Intermediate Similarity | NPC471914 |
0.8137 | Intermediate Similarity | NPC273668 |
0.8137 | Intermediate Similarity | NPC283343 |
0.8137 | Intermediate Similarity | NPC476081 |
0.8137 | Intermediate Similarity | NPC258547 |
0.8125 | Intermediate Similarity | NPC77001 |
0.8125 | Intermediate Similarity | NPC253618 |
0.8119 | Intermediate Similarity | NPC117685 |
0.8113 | Intermediate Similarity | NPC478211 |
0.8113 | Intermediate Similarity | NPC5103 |
0.8108 | Intermediate Similarity | NPC474370 |
0.8105 | Intermediate Similarity | NPC181103 |
0.81 | Intermediate Similarity | NPC253826 |
0.81 | Intermediate Similarity | NPC205143 |
0.8095 | Intermediate Similarity | NPC181994 |
0.8095 | Intermediate Similarity | NPC38948 |
0.8095 | Intermediate Similarity | NPC37628 |
0.8091 | Intermediate Similarity | NPC186525 |
0.8091 | Intermediate Similarity | NPC478206 |
0.8091 | Intermediate Similarity | NPC478205 |
0.8091 | Intermediate Similarity | NPC108581 |
0.8085 | Intermediate Similarity | NPC35933 |
0.8081 | Intermediate Similarity | NPC276110 |
0.8081 | Intermediate Similarity | NPC476519 |
0.8081 | Intermediate Similarity | NPC209355 |
0.8077 | Intermediate Similarity | NPC88349 |
0.8073 | Intermediate Similarity | NPC470075 |
0.8073 | Intermediate Similarity | NPC64318 |
0.8061 | Intermediate Similarity | NPC469645 |
0.8061 | Intermediate Similarity | NPC469692 |
0.8058 | Intermediate Similarity | NPC156681 |
0.8058 | Intermediate Similarity | NPC72842 |
0.8058 | Intermediate Similarity | NPC475050 |
0.8058 | Intermediate Similarity | NPC99510 |
0.8058 | Intermediate Similarity | NPC120321 |
0.8056 | Intermediate Similarity | NPC477126 |
0.8056 | Intermediate Similarity | NPC122056 |
0.8056 | Intermediate Similarity | NPC478212 |
0.8043 | Intermediate Similarity | NPC159148 |
0.8043 | Intermediate Similarity | NPC170303 |
0.8039 | Intermediate Similarity | NPC473160 |
0.8037 | Intermediate Similarity | NPC100329 |
0.8037 | Intermediate Similarity | NPC474315 |
0.8037 | Intermediate Similarity | NPC247031 |
0.8037 | Intermediate Similarity | NPC132790 |
0.8037 | Intermediate Similarity | NPC97939 |
0.8036 | Intermediate Similarity | NPC67569 |
0.8021 | Intermediate Similarity | NPC472809 |
0.8021 | Intermediate Similarity | NPC472810 |
0.802 | Intermediate Similarity | NPC216478 |
0.802 | Intermediate Similarity | NPC478056 |
0.802 | Intermediate Similarity | NPC278008 |
0.802 | Intermediate Similarity | NPC218107 |
0.8019 | Intermediate Similarity | NPC42662 |
0.8019 | Intermediate Similarity | NPC206618 |
0.8 | Intermediate Similarity | NPC114743 |
0.8 | Intermediate Similarity | NPC301666 |
0.8 | Intermediate Similarity | NPC175145 |
0.8 | Intermediate Similarity | NPC53396 |
0.8 | Intermediate Similarity | NPC195366 |
0.8 | Intermediate Similarity | NPC88009 |
0.8 | Intermediate Similarity | NPC475176 |
0.8 | Intermediate Similarity | NPC202833 |
0.8 | Intermediate Similarity | NPC98249 |
0.8 | Intermediate Similarity | NPC78966 |
0.8 | Intermediate Similarity | NPC131665 |
0.8 | Intermediate Similarity | NPC165632 |
0.8 | Intermediate Similarity | NPC473656 |
0.8 | Intermediate Similarity | NPC255387 |
0.8 | Intermediate Similarity | NPC469684 |
0.8 | Intermediate Similarity | NPC58662 |
0.8 | Intermediate Similarity | NPC475069 |
0.8 | Intermediate Similarity | NPC284732 |
0.8 | Intermediate Similarity | NPC473968 |
0.8 | Intermediate Similarity | NPC478204 |
0.7982 | Intermediate Similarity | NPC8369 |
0.798 | Intermediate Similarity | NPC121825 |
0.798 | Intermediate Similarity | NPC24861 |
0.798 | Intermediate Similarity | NPC470255 |
0.7979 | Intermediate Similarity | NPC96055 |
0.7965 | Intermediate Similarity | NPC153700 |
0.7965 | Intermediate Similarity | NPC88326 |
0.7965 | Intermediate Similarity | NPC470265 |
0.7965 | Intermediate Similarity | NPC23786 |
0.7963 | Intermediate Similarity | NPC69291 |
0.7963 | Intermediate Similarity | NPC470063 |
0.7963 | Intermediate Similarity | NPC476801 |
0.7961 | Intermediate Similarity | NPC164551 |
0.7961 | Intermediate Similarity | NPC472552 |
0.7961 | Intermediate Similarity | NPC58329 |
0.7961 | Intermediate Similarity | NPC109195 |
0.7961 | Intermediate Similarity | NPC155332 |
0.7961 | Intermediate Similarity | NPC475038 |
0.7961 | Intermediate Similarity | NPC32577 |
0.7961 | Intermediate Similarity | NPC114540 |
0.7961 | Intermediate Similarity | NPC295791 |
0.7959 | Intermediate Similarity | NPC303697 |
0.7959 | Intermediate Similarity | NPC329842 |
0.7944 | Intermediate Similarity | NPC29133 |
0.7944 | Intermediate Similarity | NPC478209 |
0.7941 | Intermediate Similarity | NPC473510 |
0.7941 | Intermediate Similarity | NPC474190 |
0.7941 | Intermediate Similarity | NPC476303 |
0.7941 | Intermediate Similarity | NPC251680 |
0.7938 | Intermediate Similarity | NPC314727 |
0.7938 | Intermediate Similarity | NPC218927 |
0.7938 | Intermediate Similarity | NPC168131 |
0.7938 | Intermediate Similarity | NPC174342 |
0.7938 | Intermediate Similarity | NPC206001 |
0.7938 | Intermediate Similarity | NPC246028 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC124512 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 |
---|---|---|---|
1.0 | High Similarity | NPD4225 | Approved |
0.8333 | Intermediate Similarity | NPD7115 | Discovery |
0.7941 | Intermediate Similarity | NPD7640 | Approved |
0.7941 | Intermediate Similarity | NPD7639 | Approved |
0.7843 | Intermediate Similarity | NPD7638 | Approved |
0.7593 | Intermediate Similarity | NPD6686 | Approved |
0.7579 | Intermediate Similarity | NPD4752 | Clinical (unspecified phase) |
0.7524 | Intermediate Similarity | NPD5344 | Discontinued |
0.7426 | Intermediate Similarity | NPD7637 | Suspended |
0.7379 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.7364 | Intermediate Similarity | NPD4061 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD1694 | Approved |
0.7327 | Intermediate Similarity | NPD5785 | Approved |
0.7297 | Intermediate Similarity | NPD6371 | Approved |
0.729 | Intermediate Similarity | NPD7632 | Discontinued |
0.7143 | Intermediate Similarity | NPD5955 | Clinical (unspecified phase) |
0.7115 | Intermediate Similarity | NPD7748 | Approved |
0.7103 | Intermediate Similarity | NPD6648 | Approved |
0.71 | Intermediate Similarity | NPD3618 | Phase 1 |
0.7087 | Intermediate Similarity | NPD7515 | Phase 2 |
0.7075 | Intermediate Similarity | NPD7902 | Approved |
0.7071 | Intermediate Similarity | NPD6400 | Clinical (unspecified phase) |
0.7034 | Intermediate Similarity | NPD6319 | Approved |
0.7027 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7027 | Intermediate Similarity | NPD5697 | Approved |
0.7019 | Intermediate Similarity | NPD6399 | Phase 3 |
0.7019 | Intermediate Similarity | NPD5778 | Approved |
0.7019 | Intermediate Similarity | NPD5779 | Approved |
0.7018 | Intermediate Similarity | NPD8297 | Approved |
0.7009 | Intermediate Similarity | NPD7327 | Approved |
0.7009 | Intermediate Similarity | NPD7328 | Approved |
0.6992 | Remote Similarity | NPD7319 | Approved |
0.699 | Remote Similarity | NPD6698 | Approved |
0.699 | Remote Similarity | NPD46 | Approved |
0.699 | Remote Similarity | NPD7838 | Discovery |
0.6975 | Remote Similarity | NPD8033 | Approved |
0.6964 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6964 | Remote Similarity | NPD6899 | Approved |
0.6964 | Remote Similarity | NPD6881 | Approved |
0.6949 | Remote Similarity | NPD7516 | Approved |
0.6937 | Remote Similarity | NPD5739 | Approved |
0.6937 | Remote Similarity | NPD6675 | Approved |
0.6937 | Remote Similarity | NPD6402 | Approved |
0.6937 | Remote Similarity | NPD7128 | Approved |
0.693 | Remote Similarity | NPD6650 | Approved |
0.693 | Remote Similarity | NPD6649 | Approved |
0.6923 | Remote Similarity | NPD6411 | Approved |
0.6903 | Remote Similarity | NPD6012 | Approved |
0.6903 | Remote Similarity | NPD6013 | Approved |
0.6903 | Remote Similarity | NPD6373 | Approved |
0.6903 | Remote Similarity | NPD6372 | Approved |
0.6903 | Remote Similarity | NPD6014 | Approved |
0.6891 | Remote Similarity | NPD8377 | Approved |
0.6891 | Remote Similarity | NPD8294 | Approved |
0.6885 | Remote Similarity | NPD7507 | Approved |
0.6875 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD5701 | Approved |
0.6863 | Remote Similarity | NPD7524 | Approved |
0.6852 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6842 | Remote Similarity | NPD7290 | Approved |
0.6842 | Remote Similarity | NPD7102 | Approved |
0.6842 | Remote Similarity | NPD6883 | Approved |
0.6833 | Remote Similarity | NPD8378 | Approved |
0.6833 | Remote Similarity | NPD8335 | Approved |
0.6833 | Remote Similarity | NPD7503 | Approved |
0.6833 | Remote Similarity | NPD8379 | Approved |
0.6833 | Remote Similarity | NPD8296 | Approved |
0.6833 | Remote Similarity | NPD8380 | Approved |
0.6832 | Remote Similarity | NPD5363 | Approved |
0.6818 | Remote Similarity | NPD5211 | Phase 2 |
0.6814 | Remote Similarity | NPD6011 | Approved |
0.6814 | Remote Similarity | NPD7320 | Approved |
0.681 | Remote Similarity | NPD4632 | Approved |
0.6803 | Remote Similarity | NPD7492 | Approved |
0.6792 | Remote Similarity | NPD7900 | Approved |
0.6792 | Remote Similarity | NPD7901 | Clinical (unspecified phase) |
0.6783 | Remote Similarity | NPD8130 | Phase 1 |
0.6783 | Remote Similarity | NPD6847 | Approved |
0.6783 | Remote Similarity | NPD6869 | Approved |
0.6783 | Remote Similarity | NPD6617 | Approved |
0.6765 | Remote Similarity | NPD3574 | Clinical (unspecified phase) |
0.6762 | Remote Similarity | NPD6079 | Approved |
0.6759 | Remote Similarity | NPD6084 | Phase 2 |
0.6759 | Remote Similarity | NPD6083 | Phase 2 |
0.675 | Remote Similarity | NPD6054 | Approved |
0.6748 | Remote Similarity | NPD6616 | Approved |
0.6731 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6731 | Remote Similarity | NPD6101 | Approved |
0.6731 | Remote Similarity | NPD5328 | Approved |
0.6724 | Remote Similarity | NPD6882 | Approved |
0.6721 | Remote Similarity | NPD8328 | Phase 3 |
0.67 | Remote Similarity | NPD5209 | Approved |
0.67 | Remote Similarity | NPD3667 | Approved |
0.6697 | Remote Similarity | NPD5696 | Approved |
0.6696 | Remote Similarity | NPD5141 | Approved |
0.6696 | Remote Similarity | NPD4634 | Approved |
0.6694 | Remote Similarity | NPD8515 | Approved |
0.6694 | Remote Similarity | NPD8513 | Phase 3 |
0.6694 | Remote Similarity | NPD7078 | Approved |
0.6694 | Remote Similarity | NPD6015 | Approved |
0.6694 | Remote Similarity | NPD8517 | Approved |
0.6694 | Remote Similarity | NPD6016 | Approved |
0.6694 | Remote Similarity | NPD8516 | Approved |
0.6667 | Remote Similarity | NPD5220 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5221 | Approved |
0.6667 | Remote Similarity | NPD4697 | Phase 3 |
0.6667 | Remote Similarity | NPD5222 | Approved |
0.664 | Remote Similarity | NPD7736 | Approved |
0.6639 | Remote Similarity | NPD6370 | Approved |
0.6639 | Remote Similarity | NPD5988 | Approved |
0.6637 | Remote Similarity | NPD6008 | Approved |
0.6636 | Remote Similarity | NPD4696 | Approved |
0.6636 | Remote Similarity | NPD5285 | Approved |
0.6636 | Remote Similarity | NPD5286 | Approved |
0.6634 | Remote Similarity | NPD6695 | Phase 3 |
0.6612 | Remote Similarity | NPD6059 | Approved |
0.6606 | Remote Similarity | NPD4755 | Approved |
0.6606 | Remote Similarity | NPD5173 | Approved |
0.6604 | Remote Similarity | NPD8035 | Phase 2 |
0.6604 | Remote Similarity | NPD8034 | Phase 2 |
0.6604 | Remote Similarity | NPD7983 | Approved |
0.6602 | Remote Similarity | NPD7334 | Approved |
0.6602 | Remote Similarity | NPD6684 | Approved |
0.6602 | Remote Similarity | NPD6409 | Approved |
0.6602 | Remote Similarity | NPD7521 | Approved |
0.6602 | Remote Similarity | NPD5330 | Approved |
0.6602 | Remote Similarity | NPD7146 | Approved |
0.6579 | Remote Similarity | NPD6412 | Phase 2 |
0.6574 | Remote Similarity | NPD5695 | Phase 3 |
0.6574 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.6571 | Remote Similarity | NPD6051 | Approved |
0.6569 | Remote Similarity | NPD3133 | Approved |
0.6569 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6569 | Remote Similarity | NPD4786 | Approved |
0.6569 | Remote Similarity | NPD3665 | Phase 1 |
0.6569 | Remote Similarity | NPD3666 | Approved |
0.6566 | Remote Similarity | NPD7645 | Phase 2 |
0.656 | Remote Similarity | NPD8293 | Discontinued |
0.6555 | Remote Similarity | NPD6274 | Approved |
0.6542 | Remote Similarity | NPD4202 | Approved |
0.6538 | Remote Similarity | NPD3573 | Approved |
0.6535 | Remote Similarity | NPD4269 | Approved |
0.6535 | Remote Similarity | NPD4270 | Approved |
0.6518 | Remote Similarity | NPD5224 | Approved |
0.6518 | Remote Similarity | NPD5226 | Approved |
0.6518 | Remote Similarity | NPD5225 | Approved |
0.6518 | Remote Similarity | NPD4633 | Approved |
0.6505 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6505 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD6009 | Approved |
0.65 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.65 | Remote Similarity | NPD4695 | Discontinued |
0.65 | Remote Similarity | NPD7525 | Registered |
0.65 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6496 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6496 | Remote Similarity | NPD6401 | Clinical (unspecified phase) |
0.6486 | Remote Similarity | NPD4700 | Approved |
0.6481 | Remote Similarity | NPD5282 | Discontinued |
0.6476 | Remote Similarity | NPD6672 | Approved |
0.6476 | Remote Similarity | NPD7513 | Clinical (unspecified phase) |
0.6476 | Remote Similarity | NPD5737 | Approved |
0.6476 | Remote Similarity | NPD6903 | Approved |
0.6471 | Remote Similarity | NPD7154 | Phase 3 |
0.6466 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.646 | Remote Similarity | NPD5175 | Approved |
0.646 | Remote Similarity | NPD5174 | Approved |
0.6449 | Remote Similarity | NPD5693 | Phase 1 |
0.6442 | Remote Similarity | NPD5786 | Approved |
0.6429 | Remote Similarity | NPD3701 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD6933 | Approved |
0.6429 | Remote Similarity | NPD4159 | Approved |
0.6429 | Remote Similarity | NPD5223 | Approved |
0.6429 | Remote Similarity | NPD8074 | Phase 3 |
0.6423 | Remote Similarity | NPD6291 | Clinical (unspecified phase) |
0.6423 | Remote Similarity | NPD5983 | Phase 2 |
0.6422 | Remote Similarity | NPD5210 | Approved |
0.6422 | Remote Similarity | NPD4629 | Approved |
0.6417 | Remote Similarity | NPD6868 | Approved |
0.6415 | Remote Similarity | NPD4753 | Phase 2 |
0.64 | Remote Similarity | NPD6929 | Approved |
0.6393 | Remote Similarity | NPD7100 | Approved |
0.6393 | Remote Similarity | NPD7101 | Approved |
0.6387 | Remote Similarity | NPD8133 | Approved |
0.6381 | Remote Similarity | NPD7750 | Discontinued |
0.6364 | Remote Similarity | NPD6317 | Approved |
0.6364 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.6346 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.6346 | Remote Similarity | NPD1696 | Phase 3 |
0.6337 | Remote Similarity | NPD6930 | Phase 2 |
0.6337 | Remote Similarity | NPD4252 | Approved |
0.6337 | Remote Similarity | NPD4822 | Approved |
0.6337 | Remote Similarity | NPD4820 | Approved |
0.6337 | Remote Similarity | NPD4821 | Approved |
0.6337 | Remote Similarity | NPD6931 | Approved |
0.6337 | Remote Similarity | NPD4819 | Approved |
0.633 | Remote Similarity | NPD6001 | Approved |
0.6327 | Remote Similarity | NPD6942 | Approved |
0.6327 | Remote Similarity | NPD7339 | Approved |
0.6327 | Remote Similarity | NPD8264 | Approved |
0.632 | Remote Similarity | NPD7604 | 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.