Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Activity | = | 1.9 | % | PubChem BioAssay data set | |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 0.3 | ug/ml | 22330636 |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 2.1 | ug/ml | 24326280 |
NPT3085 | Organism | Penicillium oxalicum | Penicillium oxalicum | IZ | = | 6 | mm | 18068371 |
NPT2 | Others | Unspecified | Ratio IC50 | < | 1 | Open TG-GATES in vivo data: Biochemistry | ||
NPT3085 | Organism | Penicillium oxalicum | Penicillium oxalicum | IZ | = | 12 | mm | 17107790 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 3.5 | ug/ml | 25338277 |
NPT3085 | Organism | Penicillium oxalicum | Penicillium oxalicum | IZ | = | 14 | mm | 22686608 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 9.1 | ug/ml | 18597527 |
NPT3085 | Organism | Penicillium oxalicum | Penicillium oxalicum | IZ | = | 3 | mm | PubChem BioAssay data set |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 0.5 | ug/ml | 11277757 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 2.2 | ug/ml | 17064068 |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | = | 1.1 | ug/ml | 3116256 |
NPT133 | Cell Line | ZR-75-1 | Homo sapiens | ED50 | < | 0.1 | ug/ml | 20356064 |
NPT26 | Individual Protein | Reverse transcriptase | Human immunodeficiency virus 1 | IC50 | = | 700000 | nM | 19237652 |
NPT3085 | Organism | Penicillium oxalicum | Penicillium oxalicum | IZ | = | 10 | mm | 10.1021/np50041a029 |
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 NPC494 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 |
---|---|---|
0.9697 | High Similarity | NPC112983 |
0.9697 | High Similarity | NPC162571 |
0.9265 | High Similarity | NPC146583 |
0.913 | High Similarity | NPC177030 |
0.8906 | High Similarity | NPC217537 |
0.8873 | High Similarity | NPC238554 |
0.8873 | High Similarity | NPC225022 |
0.8841 | High Similarity | NPC124072 |
0.8841 | High Similarity | NPC269103 |
0.8696 | High Similarity | NPC299932 |
0.8696 | High Similarity | NPC475113 |
0.8636 | High Similarity | NPC53136 |
0.8636 | High Similarity | NPC173409 |
0.8493 | Intermediate Similarity | NPC228902 |
0.8493 | Intermediate Similarity | NPC24827 |
0.8333 | Intermediate Similarity | NPC188354 |
0.8267 | Intermediate Similarity | NPC199134 |
0.8267 | Intermediate Similarity | NPC286816 |
0.7971 | Intermediate Similarity | NPC475110 |
0.7895 | Intermediate Similarity | NPC102065 |
0.7895 | Intermediate Similarity | NPC85743 |
0.7733 | Intermediate Similarity | NPC469414 |
0.7733 | Intermediate Similarity | NPC329826 |
0.7568 | Intermediate Similarity | NPC133098 |
0.7467 | Intermediate Similarity | NPC144419 |
0.7308 | Intermediate Similarity | NPC68156 |
0.7222 | Intermediate Similarity | NPC476589 |
0.7123 | Intermediate Similarity | NPC248125 |
0.6986 | Remote Similarity | NPC131174 |
0.6933 | Remote Similarity | NPC218477 |
0.6883 | Remote Similarity | NPC84038 |
0.6867 | Remote Similarity | NPC8161 |
0.6829 | Remote Similarity | NPC47653 |
0.6806 | Remote Similarity | NPC151648 |
0.6806 | Remote Similarity | NPC15193 |
0.68 | Remote Similarity | NPC203335 |
0.6795 | Remote Similarity | NPC474705 |
0.6757 | Remote Similarity | NPC133904 |
0.6757 | Remote Similarity | NPC182794 |
0.675 | Remote Similarity | NPC271986 |
0.6711 | Remote Similarity | NPC238223 |
0.6711 | Remote Similarity | NPC474823 |
0.6711 | Remote Similarity | NPC470032 |
0.6711 | Remote Similarity | NPC287705 |
0.6709 | Remote Similarity | NPC474758 |
0.6667 | Remote Similarity | NPC186531 |
0.6667 | Remote Similarity | NPC10572 |
0.6625 | Remote Similarity | NPC478193 |
0.6625 | Remote Similarity | NPC478192 |
0.6625 | Remote Similarity | NPC161038 |
0.6625 | Remote Similarity | NPC478196 |
0.6625 | Remote Similarity | NPC478191 |
0.6625 | Remote Similarity | NPC478195 |
0.6625 | Remote Similarity | NPC478194 |
0.6623 | Remote Similarity | NPC473277 |
0.6623 | Remote Similarity | NPC475004 |
0.6588 | Remote Similarity | NPC475947 |
0.6585 | Remote Similarity | NPC475699 |
0.6582 | Remote Similarity | NPC287878 |
0.6579 | Remote Similarity | NPC132286 |
0.6556 | Remote Similarity | NPC327760 |
0.6556 | Remote Similarity | NPC114345 |
0.6556 | Remote Similarity | NPC303230 |
0.6556 | Remote Similarity | NPC6099 |
0.6548 | Remote Similarity | NPC42470 |
0.6543 | Remote Similarity | NPC123360 |
0.6528 | Remote Similarity | NPC133600 |
0.6528 | Remote Similarity | NPC286189 |
0.6506 | Remote Similarity | NPC473981 |
0.6506 | Remote Similarity | NPC473980 |
0.6506 | Remote Similarity | NPC178277 |
0.65 | Remote Similarity | NPC15499 |
0.65 | Remote Similarity | NPC476355 |
0.65 | Remote Similarity | NPC117746 |
0.65 | Remote Similarity | NPC259599 |
0.65 | Remote Similarity | NPC294434 |
0.6494 | Remote Similarity | NPC477117 |
0.6494 | Remote Similarity | NPC280374 |
0.6486 | Remote Similarity | NPC473737 |
0.6486 | Remote Similarity | NPC179087 |
0.6486 | Remote Similarity | NPC132243 |
0.6486 | Remote Similarity | NPC210303 |
0.6486 | Remote Similarity | NPC68110 |
0.6486 | Remote Similarity | NPC44343 |
0.6463 | Remote Similarity | NPC57744 |
0.6463 | Remote Similarity | NPC275530 |
0.6447 | Remote Similarity | NPC37382 |
0.6437 | Remote Similarity | NPC281172 |
0.6437 | Remote Similarity | NPC130030 |
0.642 | Remote Similarity | NPC260396 |
0.642 | Remote Similarity | NPC329852 |
0.641 | Remote Similarity | NPC88877 |
0.641 | Remote Similarity | NPC476591 |
0.6386 | Remote Similarity | NPC128276 |
0.6386 | Remote Similarity | NPC315765 |
0.6377 | Remote Similarity | NPC473784 |
0.6364 | Remote Similarity | NPC469483 |
0.6364 | Remote Similarity | NPC194871 |
0.6353 | Remote Similarity | NPC471325 |
0.6353 | Remote Similarity | NPC275507 |
0.6333 | Remote Similarity | NPC95364 |
0.6333 | Remote Similarity | NPC142159 |
0.6316 | Remote Similarity | NPC470123 |
0.6316 | Remote Similarity | NPC220766 |
0.6316 | Remote Similarity | NPC282760 |
0.631 | Remote Similarity | NPC265980 |
0.631 | Remote Similarity | NPC471299 |
0.631 | Remote Similarity | NPC99651 |
0.631 | Remote Similarity | NPC150646 |
0.631 | Remote Similarity | NPC63326 |
0.631 | Remote Similarity | NPC270126 |
0.6296 | Remote Similarity | NPC140287 |
0.6296 | Remote Similarity | NPC470686 |
0.6282 | Remote Similarity | NPC470256 |
0.6282 | Remote Similarity | NPC276290 |
0.6279 | Remote Similarity | NPC475690 |
0.6267 | Remote Similarity | NPC474774 |
0.6265 | Remote Similarity | NPC474760 |
0.6265 | Remote Similarity | NPC476028 |
0.6265 | Remote Similarity | NPC141789 |
0.6265 | Remote Similarity | NPC473825 |
0.6265 | Remote Similarity | NPC171204 |
0.6265 | Remote Similarity | NPC97516 |
0.6264 | Remote Similarity | NPC475879 |
0.625 | Remote Similarity | NPC293114 |
0.625 | Remote Similarity | NPC470755 |
0.625 | Remote Similarity | NPC163003 |
0.6235 | Remote Similarity | NPC223904 |
0.6235 | Remote Similarity | NPC281132 |
0.6235 | Remote Similarity | NPC474510 |
0.6234 | Remote Similarity | NPC191233 |
0.6222 | Remote Similarity | NPC469653 |
0.6222 | Remote Similarity | NPC260343 |
0.6222 | Remote Similarity | NPC475906 |
0.6222 | Remote Similarity | NPC475902 |
0.6222 | Remote Similarity | NPC469631 |
0.6222 | Remote Similarity | NPC471047 |
0.6222 | Remote Similarity | NPC469628 |
0.6216 | Remote Similarity | NPC309408 |
0.6216 | Remote Similarity | NPC79756 |
0.6207 | Remote Similarity | NPC16488 |
0.6207 | Remote Similarity | NPC475989 |
0.6203 | Remote Similarity | NPC232812 |
0.6203 | Remote Similarity | NPC236208 |
0.6203 | Remote Similarity | NPC470693 |
0.6203 | Remote Similarity | NPC107130 |
0.6197 | Remote Similarity | NPC49028 |
0.6197 | Remote Similarity | NPC478117 |
0.6196 | Remote Similarity | NPC166110 |
0.6196 | Remote Similarity | NPC32944 |
0.6196 | Remote Similarity | NPC193396 |
0.619 | Remote Similarity | NPC253749 |
0.619 | Remote Similarity | NPC299235 |
0.619 | Remote Similarity | NPC108816 |
0.619 | Remote Similarity | NPC182292 |
0.619 | Remote Similarity | NPC264391 |
0.619 | Remote Similarity | NPC93763 |
0.6184 | Remote Similarity | NPC471460 |
0.618 | Remote Similarity | NPC261721 |
0.6173 | Remote Similarity | NPC58956 |
0.6173 | Remote Similarity | NPC269206 |
0.6173 | Remote Similarity | NPC295633 |
0.6163 | Remote Similarity | NPC282293 |
0.6163 | Remote Similarity | NPC297440 |
0.6154 | Remote Similarity | NPC472266 |
0.6154 | Remote Similarity | NPC64913 |
0.6154 | Remote Similarity | NPC225272 |
0.6154 | Remote Similarity | NPC242877 |
0.6154 | Remote Similarity | NPC225283 |
0.6145 | Remote Similarity | NPC205615 |
0.6145 | Remote Similarity | NPC16279 |
0.6145 | Remote Similarity | NPC301207 |
0.6145 | Remote Similarity | NPC256640 |
0.6136 | Remote Similarity | NPC163615 |
0.6136 | Remote Similarity | NPC158756 |
0.6136 | Remote Similarity | NPC38569 |
0.6136 | Remote Similarity | NPC41856 |
0.6136 | Remote Similarity | NPC163093 |
0.6129 | Remote Similarity | NPC248193 |
0.6125 | Remote Similarity | NPC64234 |
0.6125 | Remote Similarity | NPC472017 |
0.6125 | Remote Similarity | NPC315285 |
0.6125 | Remote Similarity | NPC67183 |
0.6125 | Remote Similarity | NPC37929 |
0.6125 | Remote Similarity | NPC69462 |
0.6118 | Remote Similarity | NPC264227 |
0.6118 | Remote Similarity | NPC271632 |
0.6118 | Remote Similarity | NPC472965 |
0.6118 | Remote Similarity | NPC63649 |
0.6111 | Remote Similarity | NPC86948 |
0.6098 | Remote Similarity | NPC114727 |
0.6098 | Remote Similarity | NPC227396 |
0.6098 | Remote Similarity | NPC476590 |
0.6098 | Remote Similarity | NPC48641 |
0.6098 | Remote Similarity | NPC474551 |
0.6092 | Remote Similarity | NPC329829 |
0.6092 | Remote Similarity | NPC131002 |
0.6092 | Remote Similarity | NPC35556 |
0.6092 | Remote Similarity | NPC73310 |
0.6092 | Remote Similarity | NPC145914 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC494 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 |
---|---|---|---|
0.6471 | Remote Similarity | NPD5209 | Approved |
0.5897 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5857 | Remote Similarity | NPD6927 | Phase 3 |
0.573 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5698 | Remote Similarity | NPD4756 | Discovery |
0.5647 | Remote Similarity | NPD8039 | Approved |
PubChem CID   | 21729105 |
ChEMBL   | CHEMBL495662 |
ZINC   |
Molecular Weight:   | 443.82 |
ALogP:   | 1.197 |
MLogP:   | 1.9 |
XLogP:   | 4.209 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 52.6 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 18 |