Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | > | 10 | ug/ml | PubChem BioAssay data set |
NPT90 | Cell Line | DU-145 | Homo sapiens | IC50 | = | 8000 | nM | 22921081 |
NPT90 | Cell Line | DU-145 | Homo sapiens | Activity | = | 38 | % | 11975486 |
NPT1383 | Cell Line | A2058 | Homo sapiens | Activity | = | 69 | % | 19029328 |
NPT1383 | Cell Line | A2058 | Homo sapiens | IC50 | > | 10000 | nM | 19388660 |
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 NPC469922 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 |
---|---|---|
0.9 | High Similarity | NPC469923 |
0.8833 | High Similarity | NPC469921 |
0.8028 | Intermediate Similarity | NPC145898 |
0.7937 | Intermediate Similarity | NPC472021 |
0.7778 | Intermediate Similarity | NPC472020 |
0.7778 | Intermediate Similarity | NPC226602 |
0.7778 | Intermediate Similarity | NPC469924 |
0.7778 | Intermediate Similarity | NPC472019 |
0.7727 | Intermediate Similarity | NPC469926 |
0.75 | Intermediate Similarity | NPC286842 |
0.7463 | Intermediate Similarity | NPC306805 |
0.7463 | Intermediate Similarity | NPC215987 |
0.7424 | Intermediate Similarity | NPC474552 |
0.7313 | Intermediate Similarity | NPC314103 |
0.7297 | Intermediate Similarity | NPC240170 |
0.7297 | Intermediate Similarity | NPC120776 |
0.7297 | Intermediate Similarity | NPC474003 |
0.7246 | Intermediate Similarity | NPC469925 |
0.7206 | Intermediate Similarity | NPC476330 |
0.7179 | Intermediate Similarity | NPC476721 |
0.7123 | Intermediate Similarity | NPC477867 |
0.7101 | Intermediate Similarity | NPC315525 |
0.7101 | Intermediate Similarity | NPC135043 |
0.7089 | Intermediate Similarity | NPC477434 |
0.7083 | Intermediate Similarity | NPC96322 |
0.7083 | Intermediate Similarity | NPC470243 |
0.7042 | Intermediate Similarity | NPC98711 |
0.7027 | Intermediate Similarity | NPC228411 |
0.697 | Remote Similarity | NPC475821 |
0.6933 | Remote Similarity | NPC474020 |
0.6914 | Remote Similarity | NPC476717 |
0.6914 | Remote Similarity | NPC477441 |
0.6912 | Remote Similarity | NPC235788 |
0.6901 | Remote Similarity | NPC319007 |
0.6892 | Remote Similarity | NPC215030 |
0.6885 | Remote Similarity | NPC305182 |
0.6857 | Remote Similarity | NPC241949 |
0.6829 | Remote Similarity | NPC314364 |
0.68 | Remote Similarity | NPC471491 |
0.6795 | Remote Similarity | NPC474981 |
0.6757 | Remote Similarity | NPC473699 |
0.6757 | Remote Similarity | NPC475260 |
0.6757 | Remote Similarity | NPC474100 |
0.6757 | Remote Similarity | NPC475232 |
0.6757 | Remote Similarity | NPC51249 |
0.6757 | Remote Similarity | NPC473775 |
0.6753 | Remote Similarity | NPC470014 |
0.675 | Remote Similarity | NPC157328 |
0.6724 | Remote Similarity | NPC317128 |
0.6719 | Remote Similarity | NPC319589 |
0.6707 | Remote Similarity | NPC475491 |
0.6707 | Remote Similarity | NPC469626 |
0.6667 | Remote Similarity | NPC330016 |
0.6667 | Remote Similarity | NPC477443 |
0.6667 | Remote Similarity | NPC477440 |
0.6667 | Remote Similarity | NPC55508 |
0.6667 | Remote Similarity | NPC249754 |
0.6667 | Remote Similarity | NPC65133 |
0.6667 | Remote Similarity | NPC82315 |
0.6667 | Remote Similarity | NPC125164 |
0.6623 | Remote Similarity | NPC83108 |
0.6623 | Remote Similarity | NPC108014 |
0.6623 | Remote Similarity | NPC214030 |
0.6588 | Remote Similarity | NPC477444 |
0.6588 | Remote Similarity | NPC477442 |
0.6588 | Remote Similarity | NPC477433 |
0.6585 | Remote Similarity | NPC476715 |
0.6582 | Remote Similarity | NPC134227 |
0.6582 | Remote Similarity | NPC125366 |
0.6579 | Remote Similarity | NPC179922 |
0.6575 | Remote Similarity | NPC28526 |
0.6557 | Remote Similarity | NPC477878 |
0.6557 | Remote Similarity | NPC13105 |
0.6557 | Remote Similarity | NPC324793 |
0.6543 | Remote Similarity | NPC257358 |
0.6543 | Remote Similarity | NPC474472 |
0.6538 | Remote Similarity | NPC475616 |
0.6533 | Remote Similarity | NPC167145 |
0.6512 | Remote Similarity | NPC216137 |
0.6508 | Remote Similarity | NPC314084 |
0.65 | Remote Similarity | NPC308301 |
0.6494 | Remote Similarity | NPC474316 |
0.6494 | Remote Similarity | NPC476987 |
0.6494 | Remote Similarity | NPC59602 |
0.6494 | Remote Similarity | NPC475744 |
0.6494 | Remote Similarity | NPC476985 |
0.6494 | Remote Similarity | NPC152754 |
0.6491 | Remote Similarity | NPC161097 |
0.6491 | Remote Similarity | NPC28598 |
0.6479 | Remote Similarity | NPC157518 |
0.6471 | Remote Similarity | NPC470363 |
0.6463 | Remote Similarity | NPC3464 |
0.6463 | Remote Similarity | NPC474780 |
0.6463 | Remote Similarity | NPC475963 |
0.6463 | Remote Similarity | NPC151176 |
0.6438 | Remote Similarity | NPC119838 |
0.6437 | Remote Similarity | NPC474379 |
0.6429 | Remote Similarity | NPC5130 |
0.6429 | Remote Similarity | NPC51662 |
0.642 | Remote Similarity | NPC248415 |
0.642 | Remote Similarity | NPC47135 |
0.641 | Remote Similarity | NPC476264 |
0.641 | Remote Similarity | NPC122847 |
0.641 | Remote Similarity | NPC476325 |
0.641 | Remote Similarity | NPC143250 |
0.641 | Remote Similarity | NPC169389 |
0.6395 | Remote Similarity | NPC65359 |
0.6393 | Remote Similarity | NPC21844 |
0.6386 | Remote Similarity | NPC477205 |
0.6386 | Remote Similarity | NPC304509 |
0.6386 | Remote Similarity | NPC149725 |
0.6386 | Remote Similarity | NPC329749 |
0.6386 | Remote Similarity | NPC473350 |
0.6386 | Remote Similarity | NPC51267 |
0.6386 | Remote Similarity | NPC47958 |
0.6377 | Remote Similarity | NPC478126 |
0.6375 | Remote Similarity | NPC469920 |
0.6375 | Remote Similarity | NPC1882 |
0.6353 | Remote Similarity | NPC221993 |
0.6353 | Remote Similarity | NPC471221 |
0.6353 | Remote Similarity | NPC476435 |
0.6351 | Remote Similarity | NPC475062 |
0.6349 | Remote Similarity | NPC90904 |
0.6349 | Remote Similarity | NPC55678 |
0.6333 | Remote Similarity | NPC287231 |
0.6333 | Remote Similarity | NPC47363 |
0.6322 | Remote Similarity | NPC469627 |
0.6316 | Remote Similarity | NPC238425 |
0.6316 | Remote Similarity | NPC31551 |
0.6316 | Remote Similarity | NPC219536 |
0.6316 | Remote Similarity | NPC472018 |
0.6316 | Remote Similarity | NPC474543 |
0.6316 | Remote Similarity | NPC470526 |
0.6316 | Remote Similarity | NPC474755 |
0.631 | Remote Similarity | NPC474949 |
0.631 | Remote Similarity | NPC474762 |
0.631 | Remote Similarity | NPC83242 |
0.631 | Remote Similarity | NPC476015 |
0.631 | Remote Similarity | NPC475019 |
0.6308 | Remote Similarity | NPC72722 |
0.6296 | Remote Similarity | NPC328639 |
0.6296 | Remote Similarity | NPC329490 |
0.6296 | Remote Similarity | NPC207188 |
0.6292 | Remote Similarity | NPC475900 |
0.6282 | Remote Similarity | NPC469514 |
0.6282 | Remote Similarity | NPC474447 |
0.6279 | Remote Similarity | NPC67653 |
0.6279 | Remote Similarity | NPC471459 |
0.6271 | Remote Similarity | NPC203531 |
0.6271 | Remote Similarity | NPC236579 |
0.6267 | Remote Similarity | NPC69462 |
0.6265 | Remote Similarity | NPC237938 |
0.6265 | Remote Similarity | NPC9060 |
0.6265 | Remote Similarity | NPC470238 |
0.6265 | Remote Similarity | NPC181871 |
0.6265 | Remote Similarity | NPC219535 |
0.6265 | Remote Similarity | NPC138647 |
0.6265 | Remote Similarity | NPC471343 |
0.6265 | Remote Similarity | NPC115995 |
0.625 | Remote Similarity | NPC268502 |
0.625 | Remote Similarity | NPC622 |
0.625 | Remote Similarity | NPC295256 |
0.625 | Remote Similarity | NPC276647 |
0.625 | Remote Similarity | NPC254996 |
0.625 | Remote Similarity | NPC474754 |
0.6235 | Remote Similarity | NPC471739 |
0.6235 | Remote Similarity | NPC197333 |
0.6234 | Remote Similarity | NPC474551 |
0.623 | Remote Similarity | NPC145045 |
0.623 | Remote Similarity | NPC52700 |
0.623 | Remote Similarity | NPC282440 |
0.623 | Remote Similarity | NPC314679 |
0.623 | Remote Similarity | NPC105329 |
0.623 | Remote Similarity | NPC63182 |
0.6222 | Remote Similarity | NPC158416 |
0.6222 | Remote Similarity | NPC470883 |
0.6222 | Remote Similarity | NPC39859 |
0.6222 | Remote Similarity | NPC76862 |
0.622 | Remote Similarity | NPC13494 |
0.6207 | Remote Similarity | NPC12156 |
0.6207 | Remote Similarity | NPC475748 |
0.6203 | Remote Similarity | NPC477918 |
0.6203 | Remote Similarity | NPC469867 |
0.6203 | Remote Similarity | NPC471151 |
0.619 | Remote Similarity | NPC477445 |
0.619 | Remote Similarity | NPC474572 |
0.6184 | Remote Similarity | NPC474590 |
0.618 | Remote Similarity | NPC476267 |
0.618 | Remote Similarity | NPC140543 |
0.6173 | Remote Similarity | NPC60568 |
0.6173 | Remote Similarity | NPC274522 |
0.6173 | Remote Similarity | NPC476265 |
0.6164 | Remote Similarity | NPC84562 |
0.6163 | Remote Similarity | NPC177629 |
0.6163 | Remote Similarity | NPC58219 |
0.6154 | Remote Similarity | NPC477934 |
0.6154 | Remote Similarity | NPC217725 |
0.6145 | Remote Similarity | NPC272814 |
0.6145 | Remote Similarity | NPC69469 |
0.6145 | Remote Similarity | NPC11620 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC469922 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 |
---|---|---|---|
0.6571 | Remote Similarity | NPD7909 | Approved |
0.6462 | Remote Similarity | NPD3729 | Clinical (unspecified phase) |
0.6438 | Remote Similarity | NPD229 | Approved |
0.642 | Remote Similarity | NPD7345 | Approved |
0.6333 | Remote Similarity | NPD2699 | Approved |
0.6329 | Remote Similarity | NPD4238 | Approved |
0.6329 | Remote Similarity | NPD4802 | Phase 2 |
0.629 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.6271 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD9496 | Clinical (unspecified phase) |
0.6232 | Remote Similarity | NPD3198 | Approved |
0.623 | Remote Similarity | NPD634 | Phase 3 |
0.6154 | Remote Similarity | NPD3186 | Phase 1 |
0.614 | Remote Similarity | NPD3206 | Approved |
0.6 | Remote Similarity | NPD9638 | Phase 2 |
0.597 | Remote Similarity | NPD3730 | Approved |
0.597 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD3728 | Approved |
0.5904 | Remote Similarity | NPD1780 | Approved |
0.5904 | Remote Similarity | NPD1779 | Approved |
0.5833 | Remote Similarity | NPD2270 | Approved |
0.5814 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5781 | Remote Similarity | NPD2266 | Phase 2 |
0.5778 | Remote Similarity | NPD7983 | Approved |
0.5769 | Remote Similarity | NPD5777 | Approved |
0.575 | Remote Similarity | NPD3702 | Approved |
0.5732 | Remote Similarity | NPD6114 | Approved |
0.5732 | Remote Similarity | NPD6697 | Approved |
0.5732 | Remote Similarity | NPD6115 | Approved |
0.5732 | Remote Similarity | NPD6118 | Approved |
0.5714 | Remote Similarity | NPD5778 | Approved |
0.5714 | Remote Similarity | NPD5779 | Approved |
0.5714 | Remote Similarity | NPD5369 | Approved |
0.569 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5647 | Remote Similarity | NPD6435 | Approved |
0.5625 | Remote Similarity | NPD1700 | Approved |
0.5618 | Remote Similarity | NPD4264 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD7341 | Phase 2 |
PubChem CID   | 49831452 |
ChEMBL   | CHEMBL1270950 |
ZINC   |
Molecular Weight:   | 398.34 |
ALogP:   | -2.4745 |
MLogP:   | 3.66 |
XLogP:   | 9.81 |
# Rotatable Bonds:   | 22 |
Polar Surface Area:   | 44.76 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 0 |
# Rings:   | 1 |
# Heavy Atoms:   | 28 |