Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO26385 | Eupatorium rotundifolium | Species | Asteraceae | Eukaryota | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | 16180.8 | nM | PubChem BioAssay data set | |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | 16788.04 | nM | PubChem BioAssay data set | |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | 8974.29 | nM | PubChem BioAssay data set | |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | 16595.87 | nM | PubChem BioAssay data set | |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | 18620.87 | nM | PubChem BioAssay data set | |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | 13122 | nM | PubChem BioAssay data set | |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | 15240.53 | nM | PubChem BioAssay data set | |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | 1892.34 | nM | PubChem BioAssay data set | |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | 14060.48 | nM | PubChem BioAssay data set | |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | 18155.16 | nM | PubChem BioAssay data set | |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | 3341.95 | nM | PubChem BioAssay data set | |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | 21777.1 | nM | PubChem BioAssay data set | |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | 7798.3 | nM | PubChem BioAssay data set | |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | 8933.05 | nM | PubChem BioAssay data set | |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | 3689.78 | nM | PubChem BioAssay data set | |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | 16292.96 | nM | PubChem BioAssay data set | |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | 34833.73 | nM | PubChem BioAssay data set | |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | 20183.66 | nM | PubChem BioAssay data set | |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | 8452.79 | nM | PubChem BioAssay data set | |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | 17338.04 | nM | PubChem BioAssay data set | |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | 42854.85 | nM | PubChem BioAssay data set | |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | 20090.93 | nM | PubChem BioAssay data set | |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | 13803.84 | nM | PubChem BioAssay data set | |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | 3801.89 | nM | PubChem BioAssay data set | |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | 3981.07 | nM | PubChem BioAssay data set | |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | 19230.92 | nM | PubChem BioAssay data set | |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | 1990.67 | nM | PubChem BioAssay data set | |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | 12647.36 | nM | PubChem BioAssay data set | |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | 25292.98 | nM | PubChem BioAssay data set | |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | 7014.55 | nM | PubChem BioAssay data set | |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | 17218.69 | nM | PubChem BioAssay data set | |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | 6486.34 | nM | PubChem BioAssay data set | |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | 8851.16 | nM | PubChem BioAssay data set | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | 15922.09 | nM | PubChem BioAssay data set | |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | 16255.49 | nM | PubChem BioAssay data set | |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | 28183.83 | nM | PubChem BioAssay data set | |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | 21777.1 | nM | PubChem BioAssay data set | |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | 6456.54 | nM | PubChem BioAssay data set | |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | 7498.94 | nM | PubChem BioAssay data set | |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | 9749.9 | nM | PubChem BioAssay data set | |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | 15995.58 | nM | PubChem BioAssay data set | |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | 16143.59 | nM | PubChem BioAssay data set | |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | 6561.45 | nM | PubChem BioAssay data set | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | 36982.82 | nM | PubChem BioAssay data set | |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | 17988.71 | nM | PubChem BioAssay data set | |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | 20844.91 | nM | PubChem BioAssay data set | |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | 7112.14 | nM | PubChem BioAssay data set | |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | 14321.88 | nM | PubChem BioAssay data set | |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | 20276.83 | nM | PubChem BioAssay data set | |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | 58479.01 | nM | PubChem BioAssay data set | |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | 14387.99 | nM | PubChem BioAssay data set | |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | 11587.77 | nM | PubChem BioAssay data set | |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | 61944.11 | nM | PubChem BioAssay data set | |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | 16481.62 | nM | PubChem BioAssay data set | |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | 2786.12 | nM | PubChem BioAssay data set | |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | 16330.52 | nM | PubChem BioAssay data set | |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | 30338.91 | nM | PubChem BioAssay data set | |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | 10471.29 | nM | PubChem BioAssay data set | |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | 11168.63 | nM | PubChem BioAssay data set | |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | 8298.51 | nM | PubChem BioAssay data set |
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 NPC95290 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 | NPC189338 |
0.9808 | High Similarity | NPC258711 |
0.9808 | High Similarity | NPC35069 |
0.9231 | High Similarity | NPC166115 |
0.9048 | High Similarity | NPC223450 |
0.9 | High Similarity | NPC255450 |
0.9 | High Similarity | NPC170692 |
0.8909 | High Similarity | NPC121816 |
0.8868 | High Similarity | NPC243998 |
0.8818 | High Similarity | NPC273242 |
0.8585 | High Similarity | NPC86077 |
0.8447 | Intermediate Similarity | NPC477131 |
0.8426 | Intermediate Similarity | NPC100487 |
0.8364 | Intermediate Similarity | NPC68248 |
0.8273 | Intermediate Similarity | NPC26617 |
0.8269 | Intermediate Similarity | NPC470010 |
0.8269 | Intermediate Similarity | NPC470013 |
0.8269 | Intermediate Similarity | NPC198853 |
0.8269 | Intermediate Similarity | NPC262133 |
0.8269 | Intermediate Similarity | NPC323008 |
0.8252 | Intermediate Similarity | NPC133698 |
0.819 | Intermediate Similarity | NPC304886 |
0.819 | Intermediate Similarity | NPC36954 |
0.8182 | Intermediate Similarity | NPC54737 |
0.8173 | Intermediate Similarity | NPC475912 |
0.8173 | Intermediate Similarity | NPC135776 |
0.8173 | Intermediate Similarity | NPC476300 |
0.8148 | Intermediate Similarity | NPC150923 |
0.8125 | Intermediate Similarity | NPC115352 |
0.8125 | Intermediate Similarity | NPC139838 |
0.8125 | Intermediate Similarity | NPC59489 |
0.8091 | Intermediate Similarity | NPC203659 |
0.8077 | Intermediate Similarity | NPC131209 |
0.8019 | Intermediate Similarity | NPC270013 |
0.8019 | Intermediate Similarity | NPC67584 |
0.8019 | Intermediate Similarity | NPC14961 |
0.8 | Intermediate Similarity | NPC475945 |
0.8 | Intermediate Similarity | NPC179746 |
0.8 | Intermediate Similarity | NPC81419 |
0.8 | Intermediate Similarity | NPC124881 |
0.8 | Intermediate Similarity | NPC475871 |
0.8 | Intermediate Similarity | NPC110989 |
0.7982 | Intermediate Similarity | NPC474742 |
0.7981 | Intermediate Similarity | NPC51004 |
0.7944 | Intermediate Similarity | NPC476315 |
0.7944 | Intermediate Similarity | NPC213078 |
0.7928 | Intermediate Similarity | NPC474741 |
0.7925 | Intermediate Similarity | NPC81386 |
0.7925 | Intermediate Similarity | NPC474035 |
0.7909 | Intermediate Similarity | NPC474747 |
0.7909 | Intermediate Similarity | NPC225353 |
0.7905 | Intermediate Similarity | NPC208886 |
0.7905 | Intermediate Similarity | NPC12172 |
0.7905 | Intermediate Similarity | NPC30515 |
0.7905 | Intermediate Similarity | NPC184463 |
0.7895 | Intermediate Similarity | NPC477103 |
0.789 | Intermediate Similarity | NPC186861 |
0.7885 | Intermediate Similarity | NPC32922 |
0.7885 | Intermediate Similarity | NPC307411 |
0.787 | Intermediate Similarity | NPC161493 |
0.787 | Intermediate Similarity | NPC471150 |
0.7869 | Intermediate Similarity | NPC470973 |
0.785 | Intermediate Similarity | NPC52044 |
0.783 | Intermediate Similarity | NPC212486 |
0.781 | Intermediate Similarity | NPC474761 |
0.781 | Intermediate Similarity | NPC476004 |
0.7807 | Intermediate Similarity | NPC477102 |
0.7798 | Intermediate Similarity | NPC473326 |
0.7798 | Intermediate Similarity | NPC221615 |
0.7798 | Intermediate Similarity | NPC187268 |
0.7788 | Intermediate Similarity | NPC202672 |
0.7788 | Intermediate Similarity | NPC91248 |
0.7778 | Intermediate Similarity | NPC279621 |
0.7757 | Intermediate Similarity | NPC127019 |
0.7748 | Intermediate Similarity | NPC149371 |
0.7739 | Intermediate Similarity | NPC257240 |
0.7736 | Intermediate Similarity | NPC475925 |
0.7736 | Intermediate Similarity | NPC473321 |
0.7727 | Intermediate Similarity | NPC471381 |
0.7727 | Intermediate Similarity | NPC288876 |
0.7727 | Intermediate Similarity | NPC70865 |
0.7714 | Intermediate Similarity | NPC295312 |
0.7712 | Intermediate Similarity | NPC329869 |
0.7706 | Intermediate Similarity | NPC170143 |
0.7706 | Intermediate Similarity | NPC245521 |
0.7706 | Intermediate Similarity | NPC213947 |
0.7706 | Intermediate Similarity | NPC108475 |
0.7706 | Intermediate Similarity | NPC181151 |
0.7692 | Intermediate Similarity | NPC190753 |
0.7685 | Intermediate Similarity | NPC220221 |
0.7685 | Intermediate Similarity | NPC163228 |
0.7685 | Intermediate Similarity | NPC471142 |
0.7685 | Intermediate Similarity | NPC476053 |
0.7685 | Intermediate Similarity | NPC472873 |
0.7685 | Intermediate Similarity | NPC170120 |
0.7685 | Intermediate Similarity | NPC213698 |
0.7679 | Intermediate Similarity | NPC475873 |
0.7672 | Intermediate Similarity | NPC287311 |
0.7664 | Intermediate Similarity | NPC273579 |
0.7664 | Intermediate Similarity | NPC295204 |
0.7664 | Intermediate Similarity | NPC288240 |
0.7664 | Intermediate Similarity | NPC162205 |
0.7658 | Intermediate Similarity | NPC47880 |
0.7658 | Intermediate Similarity | NPC171759 |
0.7652 | Intermediate Similarity | NPC273433 |
0.7647 | Intermediate Similarity | NPC471145 |
0.7647 | Intermediate Similarity | NPC471146 |
0.7642 | Intermediate Similarity | NPC473619 |
0.7642 | Intermediate Similarity | NPC475748 |
0.7642 | Intermediate Similarity | NPC37607 |
0.7642 | Intermediate Similarity | NPC129419 |
0.7642 | Intermediate Similarity | NPC301969 |
0.7636 | Intermediate Similarity | NPC471144 |
0.7636 | Intermediate Similarity | NPC474213 |
0.7636 | Intermediate Similarity | NPC141191 |
0.7627 | Intermediate Similarity | NPC471380 |
0.7619 | Intermediate Similarity | NPC178875 |
0.7619 | Intermediate Similarity | NPC79549 |
0.7619 | Intermediate Similarity | NPC153805 |
0.7615 | Intermediate Similarity | NPC24956 |
0.7615 | Intermediate Similarity | NPC18019 |
0.7615 | Intermediate Similarity | NPC476009 |
0.7593 | Intermediate Similarity | NPC473316 |
0.7593 | Intermediate Similarity | NPC474338 |
0.7593 | Intermediate Similarity | NPC474247 |
0.7593 | Intermediate Similarity | NPC303942 |
0.7593 | Intermediate Similarity | NPC473330 |
0.7593 | Intermediate Similarity | NPC57405 |
0.7586 | Intermediate Similarity | NPC471884 |
0.757 | Intermediate Similarity | NPC261607 |
0.757 | Intermediate Similarity | NPC111114 |
0.757 | Intermediate Similarity | NPC300312 |
0.7568 | Intermediate Similarity | NPC280963 |
0.7565 | Intermediate Similarity | NPC117604 |
0.7547 | Intermediate Similarity | NPC268298 |
0.7547 | Intermediate Similarity | NPC92974 |
0.7547 | Intermediate Similarity | NPC474032 |
0.7547 | Intermediate Similarity | NPC215556 |
0.7547 | Intermediate Similarity | NPC4986 |
0.7545 | Intermediate Similarity | NPC169205 |
0.7545 | Intermediate Similarity | NPC474313 |
0.7545 | Intermediate Similarity | NPC40812 |
0.7542 | Intermediate Similarity | NPC106395 |
0.7542 | Intermediate Similarity | NPC46269 |
0.7542 | Intermediate Similarity | NPC209058 |
0.7524 | Intermediate Similarity | NPC186148 |
0.7524 | Intermediate Similarity | NPC160138 |
0.7524 | Intermediate Similarity | NPC118601 |
0.7524 | Intermediate Similarity | NPC231889 |
0.7523 | Intermediate Similarity | NPC475900 |
0.7523 | Intermediate Similarity | NPC224689 |
0.7523 | Intermediate Similarity | NPC475659 |
0.7523 | Intermediate Similarity | NPC471141 |
0.7522 | Intermediate Similarity | NPC472755 |
0.75 | Intermediate Similarity | NPC15993 |
0.75 | Intermediate Similarity | NPC21469 |
0.75 | Intermediate Similarity | NPC110443 |
0.75 | Intermediate Similarity | NPC128733 |
0.75 | Intermediate Similarity | NPC228451 |
0.75 | Intermediate Similarity | NPC185141 |
0.75 | Intermediate Similarity | NPC133907 |
0.75 | Intermediate Similarity | NPC475323 |
0.75 | Intermediate Similarity | NPC475838 |
0.75 | Intermediate Similarity | NPC258216 |
0.75 | Intermediate Similarity | NPC476270 |
0.75 | Intermediate Similarity | NPC125674 |
0.75 | Intermediate Similarity | NPC46998 |
0.75 | Intermediate Similarity | NPC36754 |
0.7479 | Intermediate Similarity | NPC67290 |
0.7479 | Intermediate Similarity | NPC133677 |
0.7479 | Intermediate Similarity | NPC138303 |
0.7478 | Intermediate Similarity | NPC477513 |
0.7477 | Intermediate Similarity | NPC473448 |
0.7477 | Intermediate Similarity | NPC71533 |
0.7477 | Intermediate Similarity | NPC106510 |
0.7477 | Intermediate Similarity | NPC144133 |
0.7477 | Intermediate Similarity | NPC45125 |
0.7477 | Intermediate Similarity | NPC179394 |
0.7477 | Intermediate Similarity | NPC62815 |
0.7477 | Intermediate Similarity | NPC216284 |
0.7477 | Intermediate Similarity | NPC475855 |
0.7459 | Intermediate Similarity | NPC143755 |
0.7458 | Intermediate Similarity | NPC123855 |
0.7458 | Intermediate Similarity | NPC76550 |
0.7458 | Intermediate Similarity | NPC138757 |
0.7455 | Intermediate Similarity | NPC230800 |
0.7455 | Intermediate Similarity | NPC185553 |
0.7455 | Intermediate Similarity | NPC477921 |
0.7455 | Intermediate Similarity | NPC473859 |
0.7453 | Intermediate Similarity | NPC207114 |
0.7453 | Intermediate Similarity | NPC177629 |
0.7453 | Intermediate Similarity | NPC474471 |
0.7453 | Intermediate Similarity | NPC217983 |
0.7453 | Intermediate Similarity | NPC227379 |
0.7453 | Intermediate Similarity | NPC58219 |
0.7453 | Intermediate Similarity | NPC473715 |
0.7438 | Intermediate Similarity | NPC161060 |
0.7436 | Intermediate Similarity | NPC5103 |
0.7434 | Intermediate Similarity | NPC324017 |
0.7434 | Intermediate Similarity | NPC320019 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC95290 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 |
---|---|---|---|
0.8273 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7739 | Intermediate Similarity | NPD6371 | Approved |
0.7547 | Intermediate Similarity | NPD1695 | Approved |
0.7364 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.7156 | Intermediate Similarity | NPD46 | Approved |
0.7156 | Intermediate Similarity | NPD6698 | Approved |
0.7025 | Intermediate Similarity | NPD6053 | Discontinued |
0.7009 | Intermediate Similarity | NPD1733 | Clinical (unspecified phase) |
0.6937 | Remote Similarity | NPD7983 | Approved |
0.6847 | Remote Similarity | NPD7838 | Discovery |
0.6719 | Remote Similarity | NPD5983 | Phase 2 |
0.6694 | Remote Similarity | NPD4632 | Approved |
0.6694 | Remote Similarity | NPD6686 | Approved |
0.6667 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD5362 | Discontinued |
0.6641 | Remote Similarity | NPD7507 | Approved |
0.6636 | Remote Similarity | NPD4249 | Approved |
0.6581 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6581 | Remote Similarity | NPD4225 | Approved |
0.6577 | Remote Similarity | NPD4250 | Approved |
0.6577 | Remote Similarity | NPD4251 | Approved |
0.6549 | Remote Similarity | NPD5785 | Approved |
0.6522 | Remote Similarity | NPD5282 | Discontinued |
0.6515 | Remote Similarity | NPD6336 | Discontinued |
0.6493 | Remote Similarity | NPD7319 | Approved |
0.6471 | Remote Similarity | NPD5344 | Discontinued |
0.6462 | Remote Similarity | NPD8513 | Phase 3 |
0.6462 | Remote Similarity | NPD8517 | Approved |
0.6462 | Remote Similarity | NPD8516 | Approved |
0.6462 | Remote Similarity | NPD8515 | Approved |
0.6434 | Remote Similarity | NPD7100 | Approved |
0.6418 | Remote Similarity | NPD6033 | Approved |
0.641 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.6406 | Remote Similarity | NPD6009 | Approved |
0.6406 | Remote Similarity | NPD7115 | Discovery |
0.6396 | Remote Similarity | NPD5363 | Approved |
0.6396 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6393 | Remote Similarity | NPD6008 | Approved |
0.6385 | Remote Similarity | NPD6319 | Approved |
0.6364 | Remote Similarity | NPD7154 | Phase 3 |
0.6357 | Remote Similarity | NPD6313 | Approved |
0.6357 | Remote Similarity | NPD6314 | Approved |
0.6357 | Remote Similarity | NPD6335 | Approved |
0.6339 | Remote Similarity | NPD5786 | Approved |
0.6324 | Remote Similarity | NPD5956 | Approved |
0.6308 | Remote Similarity | NPD7101 | Approved |
0.6293 | Remote Similarity | NPD5779 | Approved |
0.6293 | Remote Similarity | NPD5778 | Approved |
0.6273 | Remote Similarity | NPD6435 | Approved |
0.625 | Remote Similarity | NPD6648 | Approved |
0.6239 | Remote Similarity | NPD4821 | Approved |
0.6239 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6239 | Remote Similarity | NPD4819 | Approved |
0.6239 | Remote Similarity | NPD4822 | Approved |
0.6239 | Remote Similarity | NPD4820 | Approved |
0.6222 | Remote Similarity | NPD8074 | Phase 3 |
0.622 | Remote Similarity | NPD8297 | Approved |
0.6194 | Remote Similarity | NPD7492 | Approved |
0.619 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.6148 | Remote Similarity | NPD6616 | Approved |
0.6142 | Remote Similarity | NPD5215 | Approved |
0.6142 | Remote Similarity | NPD6650 | Approved |
0.6142 | Remote Similarity | NPD6649 | Approved |
0.6136 | Remote Similarity | NPD6054 | Approved |
0.6126 | Remote Similarity | NPD4270 | Approved |
0.6126 | Remote Similarity | NPD4269 | Approved |
0.6116 | Remote Similarity | NPD7640 | Approved |
0.6116 | Remote Similarity | NPD7639 | Approved |
0.6111 | Remote Similarity | NPD6372 | Approved |
0.6111 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD6373 | Approved |
0.6107 | Remote Similarity | NPD7327 | Approved |
0.6107 | Remote Similarity | NPD7328 | Approved |
0.6103 | Remote Similarity | NPD7078 | Approved |
0.6091 | Remote Similarity | NPD5368 | Approved |
0.609 | Remote Similarity | NPD8033 | Approved |
0.609 | Remote Similarity | NPD6016 | Approved |
0.609 | Remote Similarity | NPD6015 | Approved |
0.608 | Remote Similarity | NPD5697 | Approved |
0.6071 | Remote Similarity | NPD5331 | Approved |
0.6071 | Remote Similarity | NPD5332 | Approved |
0.6063 | Remote Similarity | NPD5169 | Approved |
0.6061 | Remote Similarity | NPD7516 | Approved |
0.6061 | Remote Similarity | NPD4522 | Approved |
0.6058 | Remote Similarity | NPD7736 | Approved |
0.6056 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.6055 | Remote Similarity | NPD4268 | Approved |
0.6055 | Remote Similarity | NPD4271 | Approved |
0.6045 | Remote Similarity | NPD6370 | Approved |
0.6045 | Remote Similarity | NPD5988 | Approved |
0.6043 | Remote Similarity | NPD7260 | Phase 2 |
0.6036 | Remote Similarity | NPD5369 | Approved |
0.6036 | Remote Similarity | NPD4790 | Discontinued |
0.6033 | Remote Similarity | NPD7638 | Approved |
0.6032 | Remote Similarity | NPD6881 | Approved |
0.6032 | Remote Similarity | NPD7320 | Approved |
0.6032 | Remote Similarity | NPD6899 | Approved |
0.6016 | Remote Similarity | NPD5216 | Approved |
0.6016 | Remote Similarity | NPD5127 | Approved |
0.6016 | Remote Similarity | NPD5217 | Approved |
0.6015 | Remote Similarity | NPD8294 | Approved |
0.6015 | Remote Similarity | NPD8377 | Approved |
0.6015 | Remote Similarity | NPD6059 | Approved |
0.6 | Remote Similarity | NPD5167 | Approved |
0.6 | Remote Similarity | NPD6675 | Approved |
0.6 | Remote Similarity | NPD7642 | Approved |
0.6 | Remote Similarity | NPD5739 | Approved |
0.6 | Remote Similarity | NPD7128 | Approved |
0.6 | Remote Similarity | NPD6845 | Suspended |
0.6 | Remote Similarity | NPD6402 | Approved |
0.6 | Remote Similarity | NPD7839 | Suspended |
0.5985 | Remote Similarity | NPD8293 | Discontinued |
0.5984 | Remote Similarity | NPD6014 | Approved |
0.5984 | Remote Similarity | NPD6012 | Approved |
0.5984 | Remote Similarity | NPD6013 | Approved |
0.5982 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.597 | Remote Similarity | NPD8335 | Approved |
0.597 | Remote Similarity | NPD8378 | Approved |
0.597 | Remote Similarity | NPD8379 | Approved |
0.597 | Remote Similarity | NPD8380 | Approved |
0.597 | Remote Similarity | NPD8296 | Approved |
0.597 | Remote Similarity | NPD7503 | Approved |
0.5969 | Remote Similarity | NPD6882 | Approved |
0.5965 | Remote Similarity | NPD1694 | Approved |
0.5954 | Remote Similarity | NPD6868 | Approved |
0.5952 | Remote Similarity | NPD5954 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD5701 | Approved |
0.5952 | Remote Similarity | NPD6412 | Phase 2 |
0.5946 | Remote Similarity | NPD4252 | Approved |
0.5938 | Remote Similarity | NPD7290 | Approved |
0.5938 | Remote Similarity | NPD7102 | Approved |
0.5938 | Remote Similarity | NPD6883 | Approved |
0.5917 | Remote Similarity | NPD5695 | Phase 3 |
0.5912 | Remote Similarity | NPD8273 | Phase 1 |
0.5909 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD6011 | Approved |
0.5906 | Remote Similarity | NPD5128 | Approved |
0.5902 | Remote Similarity | NPD5696 | Approved |
0.5891 | Remote Similarity | NPD8130 | Phase 1 |
0.5891 | Remote Similarity | NPD6847 | Approved |
0.5891 | Remote Similarity | NPD6869 | Approved |
0.5891 | Remote Similarity | NPD6617 | Approved |
0.5887 | Remote Similarity | NPD5211 | Phase 2 |
0.5882 | Remote Similarity | NPD7829 | Approved |
0.5882 | Remote Similarity | NPD6399 | Phase 3 |
0.5882 | Remote Similarity | NPD7604 | Phase 2 |
0.5882 | Remote Similarity | NPD7830 | Approved |
0.5865 | Remote Similarity | NPD7641 | Discontinued |
0.5841 | Remote Similarity | NPD4800 | Clinical (unspecified phase) |
0.5841 | Remote Similarity | NPD5209 | Approved |
0.5827 | Remote Similarity | NPD6614 | Approved |
0.582 | Remote Similarity | NPD6083 | Phase 2 |
0.582 | Remote Similarity | NPD6084 | Phase 2 |
0.5814 | Remote Similarity | NPD4634 | Approved |
0.5798 | Remote Similarity | NPD7637 | Suspended |
0.5797 | Remote Similarity | NPD8451 | Approved |
0.5794 | Remote Similarity | NPD5141 | Approved |
0.5789 | Remote Similarity | NPD6110 | Phase 1 |
0.5781 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5769 | Remote Similarity | NPD2204 | Approved |
0.5769 | Remote Similarity | NPD1719 | Phase 1 |
0.5763 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD6101 | Approved |
0.576 | Remote Similarity | NPD5091 | Approved |
0.5755 | Remote Similarity | NPD8448 | Approved |
0.5739 | Remote Similarity | NPD5766 | Clinical (unspecified phase) |
0.5735 | Remote Similarity | NPD6291 | Clinical (unspecified phase) |
0.5726 | Remote Similarity | NPD5286 | Approved |
0.5726 | Remote Similarity | NPD7524 | Approved |
0.5726 | Remote Similarity | NPD5285 | Approved |
0.5726 | Remote Similarity | NPD4696 | Approved |
0.5725 | Remote Similarity | NPD8341 | Approved |
0.5725 | Remote Similarity | NPD8299 | Approved |
0.5725 | Remote Similarity | NPD8340 | Approved |
0.5725 | Remote Similarity | NPD8342 | Approved |
0.5714 | Remote Similarity | NPD6274 | Approved |
0.5691 | Remote Similarity | NPD4755 | Approved |
0.5682 | Remote Similarity | NPD8133 | Approved |
0.5676 | Remote Similarity | NPD8384 | Approved |
0.5667 | Remote Similarity | NPD5693 | Phase 1 |
0.5667 | Remote Similarity | NPD5284 | Approved |
0.5667 | Remote Similarity | NPD6411 | Approved |
0.5667 | Remote Similarity | NPD5281 | Approved |
0.5659 | Remote Similarity | NPD5168 | Approved |
0.5656 | Remote Similarity | NPD5654 | Approved |
0.5656 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD8328 | Phase 3 |
0.5649 | Remote Similarity | NPD6401 | Clinical (unspecified phase) |
0.5635 | Remote Similarity | NPD5226 | Approved |
0.5635 | Remote Similarity | NPD7632 | Discontinued |
0.5635 | Remote Similarity | NPD5224 | Approved |
0.5635 | Remote Similarity | NPD5225 | Approved |
0.5635 | Remote Similarity | NPD3653 | Clinical (unspecified phase) |
0.5635 | Remote Similarity | NPD4633 | Approved |
0.5634 | Remote Similarity | NPD8391 | Approved |
0.5634 | Remote Similarity | NPD8390 | Approved |
0.5634 | Remote Similarity | NPD8392 | Approved |
0.562 | Remote Similarity | NPD8444 | Approved |
0.5603 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD4700 | Approved |
PubChem CID   | 5458218 |
ChEMBL   | CHEMBL1986697 |
ZINC   |
Molecular Weight:   | 454.14 |
ALogP:   | 1.2741 |
MLogP:   | 2.89 |
XLogP:   | 1.229 |
# Rotatable Bonds:   | 13 |
Polar Surface Area:   | 119.36 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 2 |
# Rings:   | 3 |
# Heavy Atoms:   | 31 |