Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 18.15 | % | PubChem BioAssay data set |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 62 | % | 10.1016/j.cropro.2012.12.009 |
NPT1018 | Organism | Trypanosoma brucei | Trypanosoma brucei | Activity | = | 97.3 | % | 22206869 |
NPT323 | Cell Line | SW-620 | Homo sapiens | IC50 | = | 0.1 | nM | 22304344 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | IC50 | = | 1 | nM | 15974627 |
NPT713 | Individual Protein | Bile salt export pump | Homo sapiens | IC50 | = | 7200 | nM | 15620242 |
NPT2 | Others | Unspecified | Ratio CC50/EC50 | = | 41.4 | 15270556 | ||
NPT575 | Cell Line | KM-20L2 | Homo sapiens | GI50 | = | 0.0008 | ug/ml | 21481593 |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 0.0035 | ug/ml | 21481593 |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | MIC | = | 0.4 | ug/ml | Open TG-GATES in vivo data: Organ Weight |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | MIC | = | 0.2 | ug/ml | Open TG-GATES in vivo data: Organ Weight |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 25.79 | % | DrugMatrix in vivo data: Biochemistry |
NPT1515 | Organism | SARS coronavirus | SARS coronavirus | Inhibition | < | 25 | % | 15646539 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 18 | % | 8277314 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | Activity | < | 40 | % | 10.6019/CHEMBL1201861 |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | = | 0.0027 | ug/ml | 24697496 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 49 | % | 18070962 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 23 | % | 18070962 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 19 | % | 18070962 |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 40.3 | % | 21507644 |
NPT1515 | Organism | SARS coronavirus | SARS coronavirus | Inhibition | = | 50 | % | 24128115 |
NPT1515 | Organism | SARS coronavirus | SARS coronavirus | Inhibition | = | 25 | % | 10425119 |
NPT76 | Cell Line | C6 | Rattus norvegicus | IC50 | = | 0.4 | nM | 20627740 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | = | 0.8 | nM | 20627740 |
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | = | 2180 | nM | 20627740 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | = | 1 | nM | 20000781 |
NPT17 | Organism | Staphylococcus epidermidis | Staphylococcus epidermidis | Activity | < | 40 | % | 14643343 |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | CC50 | = | 67500 | nM | 21737288 |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | 16.65 | % | DrugMatrix in vitro pharmacology data |
NPT1515 | Organism | SARS coronavirus | SARS coronavirus | Inhibition | = | 25 | % | 9281595 |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.12 | ug/ml | 26649907 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | FC | >= | 2 | 26793989 | |
NPT471 | Organism | Trypanosoma brucei brucei | Trypanosoma brucei brucei | Activity | = | 70 | % | PubChem BioAssay data set |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | FC | >= | 2 | 19035792 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 500 | nM | 15730254 |
NPT1515 | Organism | SARS coronavirus | SARS coronavirus | EC50 | = | 1630 | nM | 16854077 |
NPT2 | Others | Unspecified | Ratio IC50 | = | 3 | 17967541 | ||
NPT2 | Others | Unspecified | Ratio IC50 | = | 3 | 17981462 | ||
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 16 | % | 23978065 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | FC | >= | 2 | 18519722 | |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | IC50 | = | 3200 | nM | 18243700 |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | IC50 | = | 1 | nM | 11312930 |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 56.07 | % | 24673739 |
NPT2 | Others | Unspecified | Survival | = | 50 | % | 20025236 | |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 35 | % | DrugMatrix in vitro pharmacology data |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 60 | % | DrugMatrix in vitro pharmacology data |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 24 | % | DrugMatrix in vitro pharmacology data |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 42 | % | DrugMatrix in vitro pharmacology data |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 63 | % | DrugMatrix in vitro pharmacology data |
NPT783 | Cell Line | MIA PaCa-2 | Homo sapiens | Activity | = | 12 | % | DrugMatrix in vitro pharmacology data |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | -1.5 | % | 26186257 |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 0.001 | ug/ml | 18077363 |
NPT1081 | Cell Line | BXPC-3 | Homo sapiens | GI50 | = | 0.0019 | ug/ml | 18077363 |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | = | 0.0025 | ug/ml | 22180047 |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 1770 | nM | 15043423 |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | FC | >= | 2 | 10869199 |
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 NPC193280 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 | NPC314273 |
0.9545 | High Similarity | NPC141325 |
0.9403 | High Similarity | NPC138435 |
0.913 | High Similarity | NPC476324 |
0.913 | High Similarity | NPC476130 |
0.8676 | High Similarity | NPC476285 |
0.8676 | High Similarity | NPC476291 |
0.831 | Intermediate Similarity | NPC476248 |
0.7922 | Intermediate Similarity | NPC246005 |
0.7887 | Intermediate Similarity | NPC478256 |
0.7703 | Intermediate Similarity | NPC472595 |
0.75 | Intermediate Similarity | NPC472594 |
0.7467 | Intermediate Similarity | NPC86064 |
0.7439 | Intermediate Similarity | NPC477728 |
0.7333 | Intermediate Similarity | NPC43219 |
0.7125 | Intermediate Similarity | NPC314466 |
0.7073 | Intermediate Similarity | NPC145748 |
0.7073 | Intermediate Similarity | NPC95478 |
0.7073 | Intermediate Similarity | NPC155670 |
0.7027 | Intermediate Similarity | NPC474299 |
0.7027 | Intermediate Similarity | NPC475808 |
0.7027 | Intermediate Similarity | NPC474298 |
0.7027 | Intermediate Similarity | NPC28348 |
0.7027 | Intermediate Similarity | NPC473985 |
0.6988 | Remote Similarity | NPC227051 |
0.6974 | Remote Similarity | NPC474403 |
0.6957 | Remote Similarity | NPC473599 |
0.6951 | Remote Similarity | NPC477730 |
0.68 | Remote Similarity | NPC472579 |
0.6782 | Remote Similarity | NPC477729 |
0.6716 | Remote Similarity | NPC321118 |
0.6716 | Remote Similarity | NPC316889 |
0.6667 | Remote Similarity | NPC315535 |
0.6667 | Remote Similarity | NPC315131 |
0.6667 | Remote Similarity | NPC478017 |
0.6629 | Remote Similarity | NPC208537 |
0.6629 | Remote Similarity | NPC270005 |
0.6571 | Remote Similarity | NPC328447 |
0.6543 | Remote Similarity | NPC316242 |
0.6463 | Remote Similarity | NPC473984 |
0.6389 | Remote Similarity | NPC471129 |
0.6364 | Remote Similarity | NPC328378 |
0.6364 | Remote Similarity | NPC29598 |
0.6364 | Remote Similarity | NPC212866 |
0.6351 | Remote Similarity | NPC145658 |
0.6338 | Remote Similarity | NPC472578 |
0.6301 | Remote Similarity | NPC477644 |
0.625 | Remote Similarity | NPC317143 |
0.625 | Remote Similarity | NPC316826 |
0.625 | Remote Similarity | NPC327748 |
0.625 | Remote Similarity | NPC321468 |
0.6234 | Remote Similarity | NPC470110 |
0.6234 | Remote Similarity | NPC10716 |
0.6222 | Remote Similarity | NPC474593 |
0.6222 | Remote Similarity | NPC475801 |
0.6197 | Remote Similarity | NPC317147 |
0.6197 | Remote Similarity | NPC318260 |
0.6176 | Remote Similarity | NPC322946 |
0.6164 | Remote Similarity | NPC329564 |
0.6164 | Remote Similarity | NPC327170 |
0.6154 | Remote Similarity | NPC474576 |
0.6125 | Remote Similarity | NPC320865 |
0.6125 | Remote Similarity | NPC477641 |
0.6125 | Remote Similarity | NPC477643 |
0.6119 | Remote Similarity | NPC80350 |
0.6104 | Remote Similarity | NPC470109 |
0.6087 | Remote Similarity | NPC471098 |
0.6087 | Remote Similarity | NPC62263 |
0.6087 | Remote Similarity | NPC173763 |
0.6076 | Remote Similarity | NPC477642 |
0.6049 | Remote Similarity | NPC178919 |
0.6049 | Remote Similarity | NPC263281 |
0.6042 | Remote Similarity | NPC220234 |
0.6026 | Remote Similarity | NPC195165 |
0.6023 | Remote Similarity | NPC476523 |
0.5978 | Remote Similarity | NPC477538 |
0.5977 | Remote Similarity | NPC474312 |
0.5974 | Remote Similarity | NPC474402 |
0.5974 | Remote Similarity | NPC470108 |
0.5957 | Remote Similarity | NPC470283 |
0.5905 | Remote Similarity | NPC63191 |
0.5905 | Remote Similarity | NPC471202 |
0.5876 | Remote Similarity | NPC475440 |
0.5862 | Remote Similarity | NPC84128 |
0.5862 | Remote Similarity | NPC53858 |
0.5859 | Remote Similarity | NPC124554 |
0.5859 | Remote Similarity | NPC5864 |
0.5859 | Remote Similarity | NPC301148 |
0.5849 | Remote Similarity | NPC472536 |
0.5849 | Remote Similarity | NPC103391 |
0.5844 | Remote Similarity | NPC41429 |
0.5842 | Remote Similarity | NPC475918 |
0.5823 | Remote Similarity | NPC306696 |
0.5811 | Remote Similarity | NPC321536 |
0.5802 | Remote Similarity | NPC477200 |
0.58 | Remote Similarity | NPC198344 |
0.5797 | Remote Similarity | NPC326283 |
0.5797 | Remote Similarity | NPC321394 |
0.5789 | Remote Similarity | NPC145627 |
0.5789 | Remote Similarity | NPC327252 |
0.578 | Remote Similarity | NPC477237 |
0.5765 | Remote Similarity | NPC37681 |
0.5765 | Remote Similarity | NPC473741 |
0.5765 | Remote Similarity | NPC477145 |
0.575 | Remote Similarity | NPC126779 |
0.5743 | Remote Similarity | NPC124549 |
0.5743 | Remote Similarity | NPC323720 |
0.5743 | Remote Similarity | NPC74035 |
0.5735 | Remote Similarity | NPC227850 |
0.5714 | Remote Similarity | NPC327250 |
0.5714 | Remote Similarity | NPC475758 |
0.5699 | Remote Similarity | NPC39290 |
0.5699 | Remote Similarity | NPC159369 |
0.5698 | Remote Similarity | NPC31756 |
0.5694 | Remote Similarity | NPC327831 |
0.5694 | Remote Similarity | NPC322573 |
0.5676 | Remote Similarity | NPC477238 |
0.5672 | Remote Similarity | NPC297220 |
0.5657 | Remote Similarity | NPC475791 |
0.5657 | Remote Similarity | NPC13175 |
0.5641 | Remote Similarity | NPC128559 |
0.5634 | Remote Similarity | NPC329495 |
0.5632 | Remote Similarity | NPC476117 |
0.5632 | Remote Similarity | NPC476243 |
0.5632 | Remote Similarity | NPC476156 |
0.5632 | Remote Similarity | NPC476137 |
0.5618 | Remote Similarity | NPC47135 |
0.56 | Remote Similarity | NPC320598 |
0.56 | Remote Similarity | NPC254541 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC193280 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 |
---|---|---|---|
0.7273 | Intermediate Similarity | NPD2689 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD3160 | Suspended |
0.7143 | Intermediate Similarity | NPD1453 | Phase 1 |
0.7027 | Intermediate Similarity | NPD3724 | Clinical (unspecified phase) |
0.6716 | Remote Similarity | NPD9419 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7917 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7918 | Clinical (unspecified phase) |
0.6571 | Remote Similarity | NPD9661 | Approved |
0.6533 | Remote Similarity | NPD2263 | Discontinued |
0.6484 | Remote Similarity | NPD8394 | Approved |
0.6404 | Remote Similarity | NPD3716 | Discontinued |
0.6364 | Remote Similarity | NPD7840 | Approved |
0.6176 | Remote Similarity | NPD9441 | Phase 2 |
0.617 | Remote Similarity | NPD6428 | Approved |
0.6154 | Remote Similarity | NPD1815 | Discontinued |
0.6154 | Remote Similarity | NPD6094 | Approved |
0.6154 | Remote Similarity | NPD6095 | Approved |
0.6143 | Remote Similarity | NPD4277 | Approved |
0.6143 | Remote Similarity | NPD4276 | Approved |
0.6133 | Remote Similarity | NPD364 | Discontinued |
0.6125 | Remote Similarity | NPD2256 | Clinical (unspecified phase) |
0.6064 | Remote Similarity | NPD7844 | Discontinued |
0.6 | Remote Similarity | NPD5375 | Phase 3 |
0.596 | Remote Similarity | NPD8045 | Clinical (unspecified phase) |
0.5921 | Remote Similarity | NPD1151 | Approved |
0.5867 | Remote Similarity | NPD574 | Approved |
0.5867 | Remote Similarity | NPD3193 | Approved |
0.5867 | Remote Similarity | NPD3192 | Approved |
0.5862 | Remote Similarity | NPD1448 | Clinical (unspecified phase) |
0.5844 | Remote Similarity | NPD1831 | Phase 3 |
0.5824 | Remote Similarity | NPD4759 | Clinical (unspecified phase) |
0.5797 | Remote Similarity | NPD9677 | Phase 3 |
0.5797 | Remote Similarity | NPD9678 | Approved |
0.5797 | Remote Similarity | NPD329 | Discontinued |
0.5789 | Remote Similarity | NPD575 | Clinical (unspecified phase) |
0.575 | Remote Similarity | NPD4242 | Approved |
0.5732 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.5732 | Remote Similarity | NPD3187 | Discontinued |
0.573 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.5696 | Remote Similarity | NPD1429 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD9433 | Approved |
0.5625 | Remote Similarity | NPD4241 | Registered |
0.5619 | Remote Similarity | NPD6421 | Discontinued |
0.5618 | Remote Similarity | NPD7345 | Approved |
0.5618 | Remote Similarity | NPD7643 | Phase 1 |
0.5616 | Remote Similarity | NPD9659 | Approved |
0.5604 | Remote Similarity | NPD7759 | Phase 2 |
0.5604 | Remote Similarity | NPD7760 | Phase 2 |
PubChem CID   | 3000706 |
ChEMBL   | CHEMBL223643 |
ZINC   |
Molecular Weight:   | 1110.63 |
ALogP:   | 2.3886 |
MLogP:   | 4.76 |
XLogP:   | 6.537 |
# Rotatable Bonds:   | 36 |
Polar Surface Area:   | 353.34 |
# H-Bond Aceptor:   | 24 |
# H-Bond Donor:   | 6 |
# Rings:   | 1 |
# Heavy Atoms:   | 78 |