Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 60400 | nM | 19265430 |
NPT485 | Organism | Plasmodium falciparum (isolate K1 / Thailand) | Plasmodium falciparum K1 | IC50 | = | 5100 | nM | 19265430 |
NPT20 | Organism | Candida albicans | Candida albicans | IC50 | = | 13900 | nM | 19265430 |
NPT91 | Cell Line | KB | Homo sapiens | IC50 | = | 15800 | nM | 19265430 |
NPT2 | Others | Unspecified | IC50 | = | 2400 | nM | 19265430 | |
NPT639 | Cell Line | NCI-H187 | Homo sapiens | IC50 | = | 1600 | nM | 19265430 |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | IC50 | = | 2900 | nM | 19265430 |
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 NPC204639 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 |
---|---|---|
0.8583 | High Similarity | NPC78189 |
0.8244 | Intermediate Similarity | NPC230889 |
0.816 | Intermediate Similarity | NPC16709 |
0.7188 | Intermediate Similarity | NPC30196 |
0.7132 | Intermediate Similarity | NPC6531 |
0.7016 | Intermediate Similarity | NPC201128 |
0.7008 | Intermediate Similarity | NPC29501 |
0.6953 | Remote Similarity | NPC1111 |
0.6953 | Remote Similarity | NPC60432 |
0.6953 | Remote Similarity | NPC261750 |
0.6918 | Remote Similarity | NPC77481 |
0.6918 | Remote Similarity | NPC233770 |
0.688 | Remote Similarity | NPC472433 |
0.6879 | Remote Similarity | NPC472430 |
0.6861 | Remote Similarity | NPC329919 |
0.6861 | Remote Similarity | NPC477793 |
0.6822 | Remote Similarity | NPC469865 |
0.6815 | Remote Similarity | NPC280498 |
0.6786 | Remote Similarity | NPC314361 |
0.6777 | Remote Similarity | NPC175614 |
0.6765 | Remote Similarity | NPC469494 |
0.6746 | Remote Similarity | NPC475918 |
0.6714 | Remote Similarity | NPC316401 |
0.6714 | Remote Similarity | NPC139585 |
0.6691 | Remote Similarity | NPC471471 |
0.6691 | Remote Similarity | NPC316133 |
0.6691 | Remote Similarity | NPC164476 |
0.6691 | Remote Similarity | NPC121601 |
0.6691 | Remote Similarity | NPC318445 |
0.669 | Remote Similarity | NPC472428 |
0.6667 | Remote Similarity | NPC469515 |
0.6667 | Remote Similarity | NPC475837 |
0.6642 | Remote Similarity | NPC314451 |
0.6642 | Remote Similarity | NPC314512 |
0.6642 | Remote Similarity | NPC323532 |
0.6642 | Remote Similarity | NPC313342 |
0.6642 | Remote Similarity | NPC313333 |
0.664 | Remote Similarity | NPC477198 |
0.6615 | Remote Similarity | NPC12270 |
0.6614 | Remote Similarity | NPC472615 |
0.6596 | Remote Similarity | NPC96425 |
0.6589 | Remote Similarity | NPC133729 |
0.6589 | Remote Similarity | NPC473578 |
0.6571 | Remote Similarity | NPC316205 |
0.6571 | Remote Similarity | NPC315387 |
0.6569 | Remote Similarity | NPC314629 |
0.6569 | Remote Similarity | NPC315783 |
0.6512 | Remote Similarity | NPC307903 |
0.6512 | Remote Similarity | NPC140251 |
0.6512 | Remote Similarity | NPC475150 |
0.6508 | Remote Similarity | NPC128501 |
0.65 | Remote Similarity | NPC242503 |
0.65 | Remote Similarity | NPC74672 |
0.65 | Remote Similarity | NPC209047 |
0.65 | Remote Similarity | NPC43074 |
0.65 | Remote Similarity | NPC139782 |
0.6493 | Remote Similarity | NPC316325 |
0.6475 | Remote Similarity | NPC262312 |
0.6475 | Remote Similarity | NPC3568 |
0.6475 | Remote Similarity | NPC17290 |
0.6475 | Remote Similarity | NPC23454 |
0.6475 | Remote Similarity | NPC192066 |
0.6475 | Remote Similarity | NPC70323 |
0.6475 | Remote Similarity | NPC35269 |
0.6475 | Remote Similarity | NPC256570 |
0.6446 | Remote Similarity | NPC182632 |
0.6446 | Remote Similarity | NPC15851 |
0.6446 | Remote Similarity | NPC309898 |
0.6446 | Remote Similarity | NPC61894 |
0.6446 | Remote Similarity | NPC282705 |
0.6446 | Remote Similarity | NPC473604 |
0.6446 | Remote Similarity | NPC473950 |
0.6446 | Remote Similarity | NPC473581 |
0.6446 | Remote Similarity | NPC475125 |
0.6446 | Remote Similarity | NPC475603 |
0.6446 | Remote Similarity | NPC111567 |
0.6446 | Remote Similarity | NPC186840 |
0.6446 | Remote Similarity | NPC263545 |
0.6444 | Remote Similarity | NPC296361 |
0.6429 | Remote Similarity | NPC475527 |
0.6429 | Remote Similarity | NPC314282 |
0.6423 | Remote Similarity | NPC315915 |
0.6406 | Remote Similarity | NPC472616 |
0.6406 | Remote Similarity | NPC74035 |
0.64 | Remote Similarity | NPC214821 |
0.64 | Remote Similarity | NPC298067 |
0.6397 | Remote Similarity | NPC314268 |
0.6397 | Remote Similarity | NPC477515 |
0.6397 | Remote Similarity | NPC313802 |
0.6397 | Remote Similarity | NPC67917 |
0.6387 | Remote Similarity | NPC174336 |
0.6387 | Remote Similarity | NPC187497 |
0.6387 | Remote Similarity | NPC475599 |
0.6387 | Remote Similarity | NPC113620 |
0.6387 | Remote Similarity | NPC100612 |
0.6377 | Remote Similarity | NPC469943 |
0.6371 | Remote Similarity | NPC197294 |
0.6371 | Remote Similarity | NPC45313 |
0.6371 | Remote Similarity | NPC8098 |
0.6371 | Remote Similarity | NPC183449 |
0.6358 | Remote Similarity | NPC316249 |
0.6357 | Remote Similarity | NPC271269 |
0.635 | Remote Similarity | NPC473808 |
0.6341 | Remote Similarity | NPC156782 |
0.6341 | Remote Similarity | NPC282088 |
0.6341 | Remote Similarity | NPC54961 |
0.6341 | Remote Similarity | NPC157353 |
0.6341 | Remote Similarity | NPC158445 |
0.634 | Remote Similarity | NPC298005 |
0.634 | Remote Similarity | NPC36463 |
0.6323 | Remote Similarity | NPC265699 |
0.632 | Remote Similarity | NPC266842 |
0.6316 | Remote Similarity | NPC61717 |
0.6316 | Remote Similarity | NPC244380 |
0.6312 | Remote Similarity | NPC204556 |
0.6308 | Remote Similarity | NPC251330 |
0.6296 | Remote Similarity | NPC315652 |
0.6296 | Remote Similarity | NPC7905 |
0.6288 | Remote Similarity | NPC113012 |
0.6288 | Remote Similarity | NPC122926 |
0.6276 | Remote Similarity | NPC76999 |
0.6269 | Remote Similarity | NPC5485 |
0.6267 | Remote Similarity | NPC803 |
0.625 | Remote Similarity | NPC59751 |
0.625 | Remote Similarity | NPC271621 |
0.625 | Remote Similarity | NPC27413 |
0.6241 | Remote Similarity | NPC170375 |
0.624 | Remote Similarity | NPC475503 |
0.6233 | Remote Similarity | NPC75318 |
0.6231 | Remote Similarity | NPC154601 |
0.6225 | Remote Similarity | NPC141669 |
0.6212 | Remote Similarity | NPC21324 |
0.6202 | Remote Similarity | NPC474563 |
0.6194 | Remote Similarity | NPC273215 |
0.6194 | Remote Similarity | NPC279383 |
0.6194 | Remote Similarity | NPC295444 |
0.6194 | Remote Similarity | NPC268327 |
0.6194 | Remote Similarity | NPC474497 |
0.619 | Remote Similarity | NPC167380 |
0.619 | Remote Similarity | NPC145899 |
0.6183 | Remote Similarity | NPC315426 |
0.6174 | Remote Similarity | NPC180770 |
0.6174 | Remote Similarity | NPC302276 |
0.6154 | Remote Similarity | NPC14537 |
0.6148 | Remote Similarity | NPC159369 |
0.6148 | Remote Similarity | NPC39290 |
0.6138 | Remote Similarity | NPC475472 |
0.6136 | Remote Similarity | NPC472507 |
0.6122 | Remote Similarity | NPC99864 |
0.6107 | Remote Similarity | NPC243680 |
0.6107 | Remote Similarity | NPC473252 |
0.6107 | Remote Similarity | NPC200788 |
0.6103 | Remote Similarity | NPC471645 |
0.6103 | Remote Similarity | NPC476814 |
0.6103 | Remote Similarity | NPC476813 |
0.6096 | Remote Similarity | NPC73829 |
0.6096 | Remote Similarity | NPC119794 |
0.6093 | Remote Similarity | NPC162910 |
0.609 | Remote Similarity | NPC24389 |
0.609 | Remote Similarity | NPC474725 |
0.6087 | Remote Similarity | NPC93688 |
0.6087 | Remote Similarity | NPC109603 |
0.6087 | Remote Similarity | NPC106791 |
0.6087 | Remote Similarity | NPC201889 |
0.6077 | Remote Similarity | NPC55336 |
0.6074 | Remote Similarity | NPC275100 |
0.6063 | Remote Similarity | NPC20066 |
0.6063 | Remote Similarity | NPC475646 |
0.6063 | Remote Similarity | NPC245521 |
0.6063 | Remote Similarity | NPC474194 |
0.6058 | Remote Similarity | NPC172197 |
0.6058 | Remote Similarity | NPC274293 |
0.6054 | Remote Similarity | NPC120420 |
0.6053 | Remote Similarity | NPC475584 |
0.6053 | Remote Similarity | NPC475152 |
0.6053 | Remote Similarity | NPC475394 |
0.605 | Remote Similarity | NPC477785 |
0.605 | Remote Similarity | NPC477786 |
0.605 | Remote Similarity | NPC477784 |
0.6048 | Remote Similarity | NPC472010 |
0.6048 | Remote Similarity | NPC472199 |
0.6045 | Remote Similarity | NPC472508 |
0.6045 | Remote Similarity | NPC196073 |
0.6045 | Remote Similarity | NPC46764 |
0.6045 | Remote Similarity | NPC195435 |
0.6045 | Remote Similarity | NPC127578 |
0.6026 | Remote Similarity | NPC172365 |
0.6026 | Remote Similarity | NPC82931 |
0.6026 | Remote Similarity | NPC210729 |
0.6016 | Remote Similarity | NPC83895 |
0.6016 | Remote Similarity | NPC187761 |
0.6016 | Remote Similarity | NPC234542 |
0.6014 | Remote Similarity | NPC235772 |
0.6014 | Remote Similarity | NPC201968 |
0.6014 | Remote Similarity | NPC280941 |
0.6014 | Remote Similarity | NPC476190 |
0.6013 | Remote Similarity | NPC298469 |
0.6013 | Remote Similarity | NPC193579 |
0.6013 | Remote Similarity | NPC475892 |
0.6 | Remote Similarity | NPC168758 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC204639 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 |
---|---|---|---|
0.672 | Remote Similarity | NPD1407 | Approved |
0.6691 | Remote Similarity | NPD7642 | Approved |
0.6642 | Remote Similarity | NPD8299 | Approved |
0.6642 | Remote Similarity | NPD8341 | Approved |
0.6642 | Remote Similarity | NPD8342 | Approved |
0.6642 | Remote Similarity | NPD8340 | Approved |
0.6615 | Remote Similarity | NPD1719 | Phase 1 |
0.6569 | Remote Similarity | NPD7829 | Approved |
0.6569 | Remote Similarity | NPD7830 | Approved |
0.6538 | Remote Similarity | NPD6421 | Discontinued |
0.6531 | Remote Similarity | NPD8384 | Approved |
0.65 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.6493 | Remote Similarity | NPD7500 | Approved |
0.6475 | Remote Similarity | NPD8451 | Approved |
0.6444 | Remote Similarity | NPD7641 | Discontinued |
0.6429 | Remote Similarity | NPD8448 | Approved |
0.6408 | Remote Similarity | NPD6914 | Discontinued |
0.6408 | Remote Similarity | NPD8391 | Approved |
0.6408 | Remote Similarity | NPD8390 | Approved |
0.6408 | Remote Similarity | NPD8392 | Approved |
0.6377 | Remote Similarity | NPD8080 | Discontinued |
0.6304 | Remote Similarity | NPD8444 | Approved |
0.6241 | Remote Similarity | NPD7601 | Clinical (unspecified phase) |
0.6241 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.6187 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6122 | Remote Similarity | NPD8415 | Approved |
0.6081 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.6028 | Remote Similarity | NPD7623 | Phase 3 |
0.6028 | Remote Similarity | NPD7624 | Clinical (unspecified phase) |
0.6014 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.5862 | Remote Similarity | NPD7746 | Phase 1 |
0.5862 | Remote Similarity | NPD8074 | Phase 3 |
0.5862 | Remote Similarity | NPD7747 | Phase 1 |
0.5845 | Remote Similarity | NPD7739 | Clinical (unspecified phase) |
0.5839 | Remote Similarity | NPD6429 | Approved |
0.5839 | Remote Similarity | NPD6430 | Approved |
0.5822 | Remote Similarity | NPD8336 | Approved |
0.5822 | Remote Similarity | NPD8337 | Approved |
0.5772 | Remote Similarity | NPD8338 | Approved |
0.5769 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.5766 | Remote Similarity | NPD2204 | Approved |
0.5748 | Remote Similarity | NPD1446 | Phase 3 |
0.5748 | Remote Similarity | NPD1447 | Phase 3 |
0.5746 | Remote Similarity | NPD4211 | Phase 1 |
0.5736 | Remote Similarity | NPD7839 | Suspended |
0.5735 | Remote Similarity | NPD6413 | Approved |
0.5714 | Remote Similarity | NPD2258 | Approved |
0.5714 | Remote Similarity | NPD8275 | Approved |
0.5714 | Remote Similarity | NPD2259 | Approved |
0.5714 | Remote Similarity | NPD8276 | Approved |
0.5693 | Remote Similarity | NPD6420 | Discontinued |
0.5686 | Remote Similarity | NPD6334 | Approved |
0.5686 | Remote Similarity | NPD6333 | Approved |
0.5685 | Remote Similarity | NPD4816 | Clinical (unspecified phase) |
0.5685 | Remote Similarity | NPD8273 | Phase 1 |
0.5664 | Remote Similarity | NPD7299 | Clinical (unspecified phase) |
0.5649 | Remote Similarity | NPD2255 | Approved |
0.5639 | Remote Similarity | NPD8082 | Approved |
0.5639 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.5639 | Remote Similarity | NPD7139 | Approved |
0.5639 | Remote Similarity | NPD8139 | Approved |
0.5639 | Remote Similarity | NPD8085 | Approved |
0.5639 | Remote Similarity | NPD7140 | Approved |
0.5639 | Remote Similarity | NPD8083 | Approved |
0.5639 | Remote Similarity | NPD8084 | Approved |
0.5639 | Remote Similarity | NPD8086 | Approved |
0.5639 | Remote Similarity | NPD8138 | Approved |
0.5635 | Remote Similarity | NPD3716 | Discontinued |
0.563 | Remote Similarity | NPD8393 | Approved |
0.5625 | Remote Similarity | NPD5781 | Clinical (unspecified phase) |
0.562 | Remote Similarity | NPD8305 | Approved |
0.562 | Remote Similarity | NPD6941 | Approved |
0.562 | Remote Similarity | NPD8306 | Approved |
0.5615 | Remote Similarity | NPD4228 | Discovery |
0.5608 | Remote Similarity | NPD6033 | Approved |
PubChem CID   | 42640473 |
ChEMBL   | CHEMBL562048 |
ZINC   |
Molecular Weight:   | 413.20 |
ALogP:   | -1.8231 |
MLogP:   | 3 |
XLogP:   | 4.61 |
# Rotatable Bonds:   | 15 |
Polar Surface Area:   | 99.35 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 3 |
# Rings:   | 2 |
# Heavy Atoms:   | 28 |