Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | ED50 | > | 20 | ug/ml | 20192236 | |
NPT1034 | Cell Line | Lu1 | Homo sapiens | ED50 | = | 14.6 | ug/ml | 20384296 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 2.6 | ug/ml | 20430633 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 11.9 | ug/ml | 20430633 |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 9.2 | ug/ml | 20430633 |
NPT2345 | Cell Line | SW626 | Homo sapiens | ED50 | = | 19.4 | ug/ml | 20430633 |
NPT136 | Cell Line | SK-N-SH | Homo sapiens | ED50 | = | 6.7 | ug/ml | 20430633 |
NPT726 | Cell Line | M109 | Mus musculus | ED50 | = | 10.1 | ug/ml | 12444676 |
NPT1851 | Cell Line | Col2 | Homo sapiens | ED50 | > | 20 | ug/ml | 26090896 |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 13.4 | ug/ml | 26151487 |
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 NPC100096 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 |
---|---|---|
0.9167 | High Similarity | NPC304162 |
0.8367 | Intermediate Similarity | NPC324004 |
0.8367 | Intermediate Similarity | NPC328497 |
0.8302 | Intermediate Similarity | NPC320588 |
0.8302 | Intermediate Similarity | NPC53463 |
0.8302 | Intermediate Similarity | NPC23155 |
0.8302 | Intermediate Similarity | NPC469937 |
0.82 | Intermediate Similarity | NPC106872 |
0.8125 | Intermediate Similarity | NPC19305 |
0.8125 | Intermediate Similarity | NPC255837 |
0.7959 | Intermediate Similarity | NPC8219 |
0.7885 | Intermediate Similarity | NPC90904 |
0.7843 | Intermediate Similarity | NPC200618 |
0.7843 | Intermediate Similarity | NPC131770 |
0.78 | Intermediate Similarity | NPC12438 |
0.78 | Intermediate Similarity | NPC30195 |
0.7708 | Intermediate Similarity | NPC163746 |
0.7708 | Intermediate Similarity | NPC103286 |
0.7692 | Intermediate Similarity | NPC26253 |
0.766 | Intermediate Similarity | NPC294085 |
0.766 | Intermediate Similarity | NPC183424 |
0.766 | Intermediate Similarity | NPC118968 |
0.766 | Intermediate Similarity | NPC214610 |
0.7636 | Intermediate Similarity | NPC289979 |
0.76 | Intermediate Similarity | NPC469781 |
0.7586 | Intermediate Similarity | NPC470363 |
0.7551 | Intermediate Similarity | NPC129972 |
0.7551 | Intermediate Similarity | NPC301528 |
0.7551 | Intermediate Similarity | NPC71317 |
0.746 | Intermediate Similarity | NPC82315 |
0.7447 | Intermediate Similarity | NPC268826 |
0.74 | Intermediate Similarity | NPC74845 |
0.7347 | Intermediate Similarity | NPC209970 |
0.7347 | Intermediate Similarity | NPC196924 |
0.7347 | Intermediate Similarity | NPC149184 |
0.7347 | Intermediate Similarity | NPC216630 |
0.7347 | Intermediate Similarity | NPC307783 |
0.7347 | Intermediate Similarity | NPC171736 |
0.7344 | Intermediate Similarity | NPC28526 |
0.7292 | Intermediate Similarity | NPC113928 |
0.7292 | Intermediate Similarity | NPC279026 |
0.7292 | Intermediate Similarity | NPC201844 |
0.7292 | Intermediate Similarity | NPC261080 |
0.7292 | Intermediate Similarity | NPC301585 |
0.7292 | Intermediate Similarity | NPC301696 |
0.7292 | Intermediate Similarity | NPC154186 |
0.7292 | Intermediate Similarity | NPC14227 |
0.7255 | Intermediate Similarity | NPC62014 |
0.7255 | Intermediate Similarity | NPC47363 |
0.7255 | Intermediate Similarity | NPC287231 |
0.7222 | Intermediate Similarity | NPC55678 |
0.72 | Intermediate Similarity | NPC67462 |
0.7143 | Intermediate Similarity | NPC165533 |
0.7097 | Intermediate Similarity | NPC226592 |
0.7091 | Intermediate Similarity | NPC470411 |
0.7091 | Intermediate Similarity | NPC470410 |
0.7091 | Intermediate Similarity | NPC287811 |
0.7091 | Intermediate Similarity | NPC470412 |
0.7083 | Intermediate Similarity | NPC73245 |
0.7059 | Intermediate Similarity | NPC76051 |
0.7021 | Intermediate Similarity | NPC134782 |
0.7 | Intermediate Similarity | NPC53541 |
0.6964 | Remote Similarity | NPC18357 |
0.6939 | Remote Similarity | NPC219536 |
0.6939 | Remote Similarity | NPC223249 |
0.6939 | Remote Similarity | NPC31551 |
0.6939 | Remote Similarity | NPC471282 |
0.6875 | Remote Similarity | NPC158179 |
0.6863 | Remote Similarity | NPC236579 |
0.6863 | Remote Similarity | NPC203531 |
0.6825 | Remote Similarity | NPC470320 |
0.6809 | Remote Similarity | NPC317203 |
0.68 | Remote Similarity | NPC40597 |
0.68 | Remote Similarity | NPC28598 |
0.68 | Remote Similarity | NPC256163 |
0.68 | Remote Similarity | NPC161097 |
0.68 | Remote Similarity | NPC250028 |
0.68 | Remote Similarity | NPC149299 |
0.6792 | Remote Similarity | NPC145045 |
0.6792 | Remote Similarity | NPC52700 |
0.6792 | Remote Similarity | NPC105329 |
0.6792 | Remote Similarity | NPC63182 |
0.6774 | Remote Similarity | NPC321838 |
0.6769 | Remote Similarity | NPC99619 |
0.6769 | Remote Similarity | NPC271921 |
0.6769 | Remote Similarity | NPC330426 |
0.6769 | Remote Similarity | NPC148192 |
0.6769 | Remote Similarity | NPC26500 |
0.6769 | Remote Similarity | NPC22101 |
0.6769 | Remote Similarity | NPC104537 |
0.6769 | Remote Similarity | NPC206601 |
0.6769 | Remote Similarity | NPC469925 |
0.6769 | Remote Similarity | NPC127091 |
0.6735 | Remote Similarity | NPC22903 |
0.6735 | Remote Similarity | NPC305660 |
0.6735 | Remote Similarity | NPC201622 |
0.6735 | Remote Similarity | NPC54980 |
0.6721 | Remote Similarity | NPC17935 |
0.6667 | Remote Similarity | NPC155263 |
0.6667 | Remote Similarity | NPC325773 |
0.6667 | Remote Similarity | NPC326957 |
0.6667 | Remote Similarity | NPC324981 |
0.6667 | Remote Similarity | NPC8597 |
0.6667 | Remote Similarity | NPC473559 |
0.6667 | Remote Similarity | NPC48218 |
0.6667 | Remote Similarity | NPC474361 |
0.6667 | Remote Similarity | NPC235788 |
0.6667 | Remote Similarity | NPC141481 |
0.6667 | Remote Similarity | NPC21844 |
0.6613 | Remote Similarity | NPC243532 |
0.661 | Remote Similarity | NPC54766 |
0.6604 | Remote Similarity | NPC55023 |
0.6604 | Remote Similarity | NPC273545 |
0.66 | Remote Similarity | NPC80234 |
0.6571 | Remote Similarity | NPC81052 |
0.6567 | Remote Similarity | NPC241265 |
0.6567 | Remote Similarity | NPC285003 |
0.6562 | Remote Similarity | NPC314103 |
0.6545 | Remote Similarity | NPC477878 |
0.6545 | Remote Similarity | NPC324793 |
0.6538 | Remote Similarity | NPC289686 |
0.6515 | Remote Similarity | NPC286842 |
0.6515 | Remote Similarity | NPC473829 |
0.6515 | Remote Similarity | NPC475443 |
0.6508 | Remote Similarity | NPC201939 |
0.6508 | Remote Similarity | NPC477829 |
0.65 | Remote Similarity | NPC187777 |
0.65 | Remote Similarity | NPC179764 |
0.6481 | Remote Similarity | NPC314679 |
0.6471 | Remote Similarity | NPC42526 |
0.6471 | Remote Similarity | NPC12156 |
0.6471 | Remote Similarity | NPC476660 |
0.6471 | Remote Similarity | NPC470268 |
0.6471 | Remote Similarity | NPC321873 |
0.6462 | Remote Similarity | NPC476330 |
0.6458 | Remote Similarity | NPC156630 |
0.6452 | Remote Similarity | NPC475821 |
0.6418 | Remote Similarity | NPC50228 |
0.6418 | Remote Similarity | NPC97736 |
0.6415 | Remote Similarity | NPC317128 |
0.6406 | Remote Similarity | NPC474552 |
0.6383 | Remote Similarity | NPC18224 |
0.6383 | Remote Similarity | NPC328710 |
0.6379 | Remote Similarity | NPC161366 |
0.6379 | Remote Similarity | NPC277878 |
0.6377 | Remote Similarity | NPC184550 |
0.6377 | Remote Similarity | NPC185419 |
0.6333 | Remote Similarity | NPC274290 |
0.6333 | Remote Similarity | NPC473863 |
0.6327 | Remote Similarity | NPC474392 |
0.6327 | Remote Similarity | NPC474914 |
0.6324 | Remote Similarity | NPC473772 |
0.6324 | Remote Similarity | NPC211428 |
0.6301 | Remote Similarity | NPC469495 |
0.6296 | Remote Similarity | NPC242655 |
0.6296 | Remote Similarity | NPC38891 |
0.6286 | Remote Similarity | NPC475232 |
0.6286 | Remote Similarity | NPC163812 |
0.6286 | Remote Similarity | NPC206823 |
0.6286 | Remote Similarity | NPC473699 |
0.6286 | Remote Similarity | NPC308096 |
0.6286 | Remote Similarity | NPC291228 |
0.6286 | Remote Similarity | NPC473775 |
0.6286 | Remote Similarity | NPC474100 |
0.6286 | Remote Similarity | NPC475260 |
0.6286 | Remote Similarity | NPC51249 |
0.6271 | Remote Similarity | NPC72722 |
0.6271 | Remote Similarity | NPC196612 |
0.625 | Remote Similarity | NPC475984 |
0.625 | Remote Similarity | NPC180534 |
0.6232 | Remote Similarity | NPC126366 |
0.6232 | Remote Similarity | NPC114640 |
0.6232 | Remote Similarity | NPC324165 |
0.6232 | Remote Similarity | NPC33267 |
0.6232 | Remote Similarity | NPC169976 |
0.6232 | Remote Similarity | NPC170963 |
0.6226 | Remote Similarity | NPC176500 |
0.6216 | Remote Similarity | NPC209995 |
0.6212 | Remote Similarity | NPC255863 |
0.6212 | Remote Similarity | NPC326268 |
0.6212 | Remote Similarity | NPC245947 |
0.6212 | Remote Similarity | NPC318420 |
0.6212 | Remote Similarity | NPC136164 |
0.6207 | Remote Similarity | NPC314084 |
0.6197 | Remote Similarity | NPC474321 |
0.6182 | Remote Similarity | NPC166287 |
0.6176 | Remote Similarity | NPC319007 |
0.617 | Remote Similarity | NPC267243 |
0.6154 | Remote Similarity | NPC29697 |
0.6154 | Remote Similarity | NPC470965 |
0.6133 | Remote Similarity | NPC200446 |
0.6129 | Remote Similarity | NPC225929 |
0.6129 | Remote Similarity | NPC323436 |
0.6122 | Remote Similarity | NPC97967 |
0.6111 | Remote Similarity | NPC217725 |
0.6111 | Remote Similarity | NPC228411 |
0.6111 | Remote Similarity | NPC319680 |
0.6094 | Remote Similarity | NPC235242 |
0.6087 | Remote Similarity | NPC143396 |
0.6071 | Remote Similarity | NPC249754 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC100096 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 |
---|---|---|---|
0.8302 | Intermediate Similarity | NPD3728 | Approved |
0.8302 | Intermediate Similarity | NPD3730 | Approved |
0.766 | Intermediate Similarity | NPD9655 | Approved |
0.7636 | Intermediate Similarity | NPD3729 | Clinical (unspecified phase) |
0.7347 | Intermediate Similarity | NPD2270 | Approved |
0.7292 | Intermediate Similarity | NPD633 | Phase 3 |
0.7292 | Intermediate Similarity | NPD9448 | Phase 2 |
0.7255 | Intermediate Similarity | NPD2699 | Approved |
0.717 | Intermediate Similarity | NPD6125 | Clinical (unspecified phase) |
0.7097 | Intermediate Similarity | NPD7909 | Approved |
0.6923 | Remote Similarity | NPD3199 | Clinical (unspecified phase) |
0.6825 | Remote Similarity | NPD3197 | Phase 1 |
0.678 | Remote Similarity | NPD73 | Approved |
0.6735 | Remote Similarity | NPD3206 | Approved |
0.6721 | Remote Similarity | NPD3198 | Approved |
0.6481 | Remote Similarity | NPD634 | Phase 3 |
0.6379 | Remote Similarity | NPD9011 | Approved |
0.6379 | Remote Similarity | NPD64 | Approved |
0.6379 | Remote Similarity | NPD72 | Approved |
0.6379 | Remote Similarity | NPD9007 | Approved |
0.6379 | Remote Similarity | NPD9009 | Approved |
0.6379 | Remote Similarity | NPD9010 | Approved |
0.6379 | Remote Similarity | NPD65 | Approved |
0.6379 | Remote Similarity | NPD9008 | Approved |
0.6379 | Remote Similarity | NPD66 | Approved |
0.6379 | Remote Similarity | NPD8960 | Approved |
0.625 | Remote Similarity | NPD2266 | Phase 2 |
0.625 | Remote Similarity | NPD622 | Approved |
0.6182 | Remote Similarity | NPD9431 | Approved |
0.6182 | Remote Similarity | NPD9430 | Approved |
0.6102 | Remote Similarity | NPD3186 | Phase 1 |
0.6 | Remote Similarity | NPD3172 | Approved |
0.5926 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD3196 | Approved |
0.5902 | Remote Similarity | NPD3194 | Approved |
0.5902 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
0.5902 | Remote Similarity | NPD4266 | Approved |
0.5902 | Remote Similarity | NPD3195 | Phase 2 |
0.5873 | Remote Similarity | NPD8959 | Approved |
0.5862 | Remote Similarity | NPD8964 | Approved |
0.5849 | Remote Similarity | NPD7536 | Approved |
0.5849 | Remote Similarity | NPD9635 | Discontinued |
0.5769 | Remote Similarity | NPD9513 | Phase 1 |
0.5714 | Remote Similarity | NPD5383 | Approved |
0.5714 | Remote Similarity | NPD2272 | Approved |
0.569 | Remote Similarity | NPD9004 | Approved |
0.569 | Remote Similarity | NPD9003 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD9005 | Phase 3 |
0.5667 | Remote Similarity | NPD9002 | Approved |
0.5667 | Remote Similarity | NPD9001 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD9638 | Phase 2 |
0.566 | Remote Similarity | NPD9450 | Approved |
0.566 | Remote Similarity | NPD77 | Approved |
0.5634 | Remote Similarity | NPD8277 | Approved |
0.5606 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6117 | Approved |
PubChem CID   | 10447521 |
ChEMBL   | CHEMBL459615 |
ZINC   |
Molecular Weight:   | 300.14 |
ALogP:   | -0.1804 |
MLogP:   | 3 |
XLogP:   | 3.746 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 77.76 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 3 |
# Rings:   | 0 |
# Heavy Atoms:   | 22 |