Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | = | 6 | mm | 8496706 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 4 | mm | 8496706 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 25 | ug/ml | 8496706 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 100 | ug/ml | 8496706 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 300 | ug/ml | 8496706 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 300 | ug/ml | 8496706 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 300 | ug/ml | 8496706 |
NPT2 | Others | Unspecified | ED50 | = | 2.5 | ug/ml | 8496706 | |
NPT453 | Cell Line | HT-1080 | Homo sapiens | ED50 | = | 2.3 | ug/ml | 8496706 |
NPT2 | Others | Unspecified | ED50 | = | 3.8 | ug/ml | 8496706 | |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | ED50 | = | 2.2 | ug/ml | 8496706 |
NPT2 | Others | Unspecified | ED50 | = | 1.1 | ug/ml | 8496706 | |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 1.4 | ug/ml | 8496706 |
NPT2 | Others | Unspecified | ED50 | = | 2 | ug/ml | 8496706 | |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 0.1 | ug/ml | 8496706 |
NPT762 | Cell Line | A-431 | Homo sapiens | ED50 | = | 0.6 | ug/ml | 8496706 |
NPT858 | Cell Line | LNCaP | Homo sapiens | ED50 | = | 0.9 | ug/ml | 8496706 |
NPT133 | Cell Line | ZR-75-1 | Homo sapiens | ED50 | = | 1.6 | ug/ml | 8496706 |
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 NPC96414 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 |
---|---|---|
0.9836 | High Similarity | NPC201356 |
0.9355 | High Similarity | NPC19769 |
0.9016 | High Similarity | NPC26223 |
0.8871 | High Similarity | NPC26810 |
0.8852 | High Similarity | NPC302564 |
0.8788 | High Similarity | NPC475982 |
0.875 | High Similarity | NPC273600 |
0.8615 | High Similarity | NPC146811 |
0.8615 | High Similarity | NPC276299 |
0.8594 | High Similarity | NPC25747 |
0.8594 | High Similarity | NPC148233 |
0.8594 | High Similarity | NPC308457 |
0.8485 | Intermediate Similarity | NPC122627 |
0.8382 | Intermediate Similarity | NPC202011 |
0.8358 | Intermediate Similarity | NPC63873 |
0.8333 | Intermediate Similarity | NPC475675 |
0.8333 | Intermediate Similarity | NPC124586 |
0.8333 | Intermediate Similarity | NPC475555 |
0.8333 | Intermediate Similarity | NPC248775 |
0.8308 | Intermediate Similarity | NPC470808 |
0.8254 | Intermediate Similarity | NPC159650 |
0.8254 | Intermediate Similarity | NPC97570 |
0.8254 | Intermediate Similarity | NPC22897 |
0.8235 | Intermediate Similarity | NPC151481 |
0.8219 | Intermediate Similarity | NPC180725 |
0.8219 | Intermediate Similarity | NPC470149 |
0.8219 | Intermediate Similarity | NPC470148 |
0.8194 | Intermediate Similarity | NPC475711 |
0.8194 | Intermediate Similarity | NPC474026 |
0.8143 | Intermediate Similarity | NPC185186 |
0.8143 | Intermediate Similarity | NPC327383 |
0.8116 | Intermediate Similarity | NPC476037 |
0.8108 | Intermediate Similarity | NPC133226 |
0.8108 | Intermediate Similarity | NPC470147 |
0.8088 | Intermediate Similarity | NPC238223 |
0.8088 | Intermediate Similarity | NPC475760 |
0.8065 | Intermediate Similarity | NPC472808 |
0.8065 | Intermediate Similarity | NPC324224 |
0.8028 | Intermediate Similarity | NPC315843 |
0.8028 | Intermediate Similarity | NPC107654 |
0.8 | Intermediate Similarity | NPC293114 |
0.8 | Intermediate Similarity | NPC316185 |
0.7941 | Intermediate Similarity | NPC132286 |
0.7941 | Intermediate Similarity | NPC478097 |
0.7941 | Intermediate Similarity | NPC478100 |
0.7917 | Intermediate Similarity | NPC327041 |
0.7917 | Intermediate Similarity | NPC285840 |
0.791 | Intermediate Similarity | NPC478098 |
0.791 | Intermediate Similarity | NPC282760 |
0.791 | Intermediate Similarity | NPC470123 |
0.791 | Intermediate Similarity | NPC478099 |
0.7887 | Intermediate Similarity | NPC284006 |
0.7887 | Intermediate Similarity | NPC329890 |
0.7857 | Intermediate Similarity | NPC476012 |
0.7838 | Intermediate Similarity | NPC318481 |
0.7812 | Intermediate Similarity | NPC223679 |
0.7794 | Intermediate Similarity | NPC37382 |
0.7794 | Intermediate Similarity | NPC478101 |
0.7792 | Intermediate Similarity | NPC315559 |
0.7792 | Intermediate Similarity | NPC44261 |
0.7763 | Intermediate Similarity | NPC297440 |
0.7746 | Intermediate Similarity | NPC475762 |
0.7733 | Intermediate Similarity | NPC1180 |
0.7681 | Intermediate Similarity | NPC25298 |
0.7671 | Intermediate Similarity | NPC260396 |
0.7667 | Intermediate Similarity | NPC275316 |
0.7662 | Intermediate Similarity | NPC313677 |
0.7656 | Intermediate Similarity | NPC135863 |
0.7656 | Intermediate Similarity | NPC129150 |
0.7639 | Intermediate Similarity | NPC329914 |
0.7612 | Intermediate Similarity | NPC473737 |
0.7606 | Intermediate Similarity | NPC329904 |
0.7606 | Intermediate Similarity | NPC473361 |
0.7606 | Intermediate Similarity | NPC59558 |
0.76 | Intermediate Similarity | NPC28049 |
0.76 | Intermediate Similarity | NPC279532 |
0.7571 | Intermediate Similarity | NPC474823 |
0.7568 | Intermediate Similarity | NPC188860 |
0.7568 | Intermediate Similarity | NPC326661 |
0.7568 | Intermediate Similarity | NPC203277 |
0.7564 | Intermediate Similarity | NPC142111 |
0.7564 | Intermediate Similarity | NPC473315 |
0.7538 | Intermediate Similarity | NPC254095 |
0.7538 | Intermediate Similarity | NPC474084 |
0.7534 | Intermediate Similarity | NPC474280 |
0.75 | Intermediate Similarity | NPC139712 |
0.7468 | Intermediate Similarity | NPC473308 |
0.7468 | Intermediate Similarity | NPC474251 |
0.7467 | Intermediate Similarity | NPC233071 |
0.7467 | Intermediate Similarity | NPC474278 |
0.7465 | Intermediate Similarity | NPC475004 |
0.7465 | Intermediate Similarity | NPC130618 |
0.7463 | Intermediate Similarity | NPC55376 |
0.7436 | Intermediate Similarity | NPC251026 |
0.7432 | Intermediate Similarity | NPC473582 |
0.7432 | Intermediate Similarity | NPC478193 |
0.7432 | Intermediate Similarity | NPC478192 |
0.7432 | Intermediate Similarity | NPC478195 |
0.7432 | Intermediate Similarity | NPC473948 |
0.7432 | Intermediate Similarity | NPC478194 |
0.7432 | Intermediate Similarity | NPC161038 |
0.7432 | Intermediate Similarity | NPC478196 |
0.7432 | Intermediate Similarity | NPC478191 |
0.7424 | Intermediate Similarity | NPC222852 |
0.7403 | Intermediate Similarity | NPC121374 |
0.7391 | Intermediate Similarity | NPC471565 |
0.7391 | Intermediate Similarity | NPC471556 |
0.7391 | Intermediate Similarity | NPC471566 |
0.7385 | Intermediate Similarity | NPC249850 |
0.7385 | Intermediate Similarity | NPC294938 |
0.7385 | Intermediate Similarity | NPC293437 |
0.7385 | Intermediate Similarity | NPC265551 |
0.7385 | Intermediate Similarity | NPC212730 |
0.7368 | Intermediate Similarity | NPC473471 |
0.7353 | Intermediate Similarity | NPC2328 |
0.7353 | Intermediate Similarity | NPC474774 |
0.7353 | Intermediate Similarity | NPC68110 |
0.7353 | Intermediate Similarity | NPC29697 |
0.7344 | Intermediate Similarity | NPC317899 |
0.7342 | Intermediate Similarity | NPC161045 |
0.7333 | Intermediate Similarity | NPC470705 |
0.7333 | Intermediate Similarity | NPC301207 |
0.7333 | Intermediate Similarity | NPC127118 |
0.7333 | Intermediate Similarity | NPC209113 |
0.7324 | Intermediate Similarity | NPC310210 |
0.7313 | Intermediate Similarity | NPC81896 |
0.7313 | Intermediate Similarity | NPC321919 |
0.7308 | Intermediate Similarity | NPC469469 |
0.7297 | Intermediate Similarity | NPC476590 |
0.7297 | Intermediate Similarity | NPC326504 |
0.7297 | Intermediate Similarity | NPC473489 |
0.7297 | Intermediate Similarity | NPC114727 |
0.7284 | Intermediate Similarity | NPC208473 |
0.7273 | Intermediate Similarity | NPC475210 |
0.725 | Intermediate Similarity | NPC161670 |
0.725 | Intermediate Similarity | NPC475035 |
0.7246 | Intermediate Similarity | NPC475221 |
0.7237 | Intermediate Similarity | NPC49302 |
0.7237 | Intermediate Similarity | NPC51809 |
0.7237 | Intermediate Similarity | NPC125365 |
0.7237 | Intermediate Similarity | NPC474818 |
0.7237 | Intermediate Similarity | NPC176329 |
0.7237 | Intermediate Similarity | NPC315394 |
0.7237 | Intermediate Similarity | NPC275530 |
0.7231 | Intermediate Similarity | NPC86948 |
0.7231 | Intermediate Similarity | NPC230296 |
0.7215 | Intermediate Similarity | NPC310450 |
0.7215 | Intermediate Similarity | NPC11383 |
0.7215 | Intermediate Similarity | NPC475046 |
0.7215 | Intermediate Similarity | NPC474959 |
0.7206 | Intermediate Similarity | NPC325929 |
0.7206 | Intermediate Similarity | NPC66460 |
0.7206 | Intermediate Similarity | NPC271282 |
0.7206 | Intermediate Similarity | NPC113293 |
0.7183 | Intermediate Similarity | NPC203335 |
0.7164 | Intermediate Similarity | NPC318306 |
0.7164 | Intermediate Similarity | NPC82465 |
0.7164 | Intermediate Similarity | NPC322186 |
0.716 | Intermediate Similarity | NPC475034 |
0.716 | Intermediate Similarity | NPC470124 |
0.716 | Intermediate Similarity | NPC11804 |
0.716 | Intermediate Similarity | NPC471494 |
0.7143 | Intermediate Similarity | NPC221095 |
0.7143 | Intermediate Similarity | NPC3952 |
0.7143 | Intermediate Similarity | NPC209135 |
0.7143 | Intermediate Similarity | NPC182292 |
0.7143 | Intermediate Similarity | NPC182794 |
0.7143 | Intermediate Similarity | NPC474816 |
0.7143 | Intermediate Similarity | NPC477314 |
0.7143 | Intermediate Similarity | NPC279214 |
0.7125 | Intermediate Similarity | NPC229799 |
0.7125 | Intermediate Similarity | NPC286770 |
0.7125 | Intermediate Similarity | NPC16488 |
0.7125 | Intermediate Similarity | NPC284472 |
0.7123 | Intermediate Similarity | NPC4299 |
0.7121 | Intermediate Similarity | NPC323436 |
0.7121 | Intermediate Similarity | NPC472445 |
0.7121 | Intermediate Similarity | NPC44542 |
0.7108 | Intermediate Similarity | NPC470137 |
0.7105 | Intermediate Similarity | NPC68819 |
0.7105 | Intermediate Similarity | NPC190400 |
0.7105 | Intermediate Similarity | NPC49392 |
0.7101 | Intermediate Similarity | NPC475073 |
0.7089 | Intermediate Similarity | NPC315731 |
0.7089 | Intermediate Similarity | NPC150502 |
0.7073 | Intermediate Similarity | NPC311163 |
0.7073 | Intermediate Similarity | NPC315395 |
0.7073 | Intermediate Similarity | NPC316426 |
0.7067 | Intermediate Similarity | NPC474545 |
0.7067 | Intermediate Similarity | NPC470686 |
0.7059 | Intermediate Similarity | NPC79756 |
0.7059 | Intermediate Similarity | NPC471278 |
0.7051 | Intermediate Similarity | NPC226226 |
0.7051 | Intermediate Similarity | NPC55304 |
0.7051 | Intermediate Similarity | NPC473947 |
0.7051 | Intermediate Similarity | NPC99651 |
0.7042 | Intermediate Similarity | NPC248125 |
0.7037 | Intermediate Similarity | NPC266718 |
0.7037 | Intermediate Similarity | NPC78673 |
0.7037 | Intermediate Similarity | NPC160517 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC96414 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 |
---|---|---|---|
0.7273 | Intermediate Similarity | NPD585 | Clinical (unspecified phase) |
0.6829 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6812 | Remote Similarity | NPD4246 | Clinical (unspecified phase) |
0.6765 | Remote Similarity | NPD6109 | Phase 1 |
0.6765 | Remote Similarity | NPD69 | Approved |
0.6765 | Remote Similarity | NPD9119 | Approved |
0.6712 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6618 | Remote Similarity | NPD9118 | Approved |
0.6552 | Remote Similarity | NPD7838 | Discovery |
0.6438 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6413 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD46 | Approved |
0.6364 | Remote Similarity | NPD6698 | Approved |
0.6277 | Remote Similarity | NPD5344 | Discontinued |
0.6237 | Remote Similarity | NPD4225 | Approved |
0.6212 | Remote Similarity | NPD6927 | Phase 3 |
0.618 | Remote Similarity | NPD5785 | Approved |
0.6173 | Remote Similarity | NPD4756 | Discovery |
0.6154 | Remote Similarity | NPD4220 | Pre-registration |
0.6145 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6081 | Remote Similarity | NPD3197 | Phase 1 |
0.6022 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6648 | Approved |
0.6 | Remote Similarity | NPD5343 | Approved |
0.5977 | Remote Similarity | NPD5363 | Approved |
0.5938 | Remote Similarity | NPD39 | Approved |
0.5938 | Remote Similarity | NPD4222 | Approved |
0.5938 | Remote Similarity | NPD4265 | Approved |
0.593 | Remote Similarity | NPD7154 | Phase 3 |
0.5909 | Remote Similarity | NPD3173 | Approved |
0.5904 | Remote Similarity | NPD4268 | Approved |
0.5904 | Remote Similarity | NPD4271 | Approved |
0.5814 | Remote Similarity | NPD5209 | Approved |
0.5781 | Remote Similarity | NPD6096 | Approved |
0.5781 | Remote Similarity | NPD6097 | Approved |
0.5765 | Remote Similarity | NPD4821 | Approved |
0.5765 | Remote Similarity | NPD4819 | Approved |
0.5765 | Remote Similarity | NPD4822 | Approved |
0.5765 | Remote Similarity | NPD4820 | Approved |
0.5765 | Remote Similarity | NPD4252 | Approved |
0.5761 | Remote Similarity | NPD7983 | Approved |
0.5747 | Remote Similarity | NPD5362 | Discontinued |
0.5747 | Remote Similarity | NPD6110 | Phase 1 |
0.5745 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD4249 | Approved |
0.5714 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5692 | Remote Similarity | NPD9090 | Phase 3 |
0.5667 | Remote Similarity | NPD9115 | Approved |
0.5667 | Remote Similarity | NPD4250 | Approved |
0.5667 | Remote Similarity | NPD4251 | Approved |
0.5658 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5657 | Remote Similarity | NPD1407 | Approved |
0.5632 | Remote Similarity | NPD4269 | Approved |
0.5632 | Remote Similarity | NPD4270 | Approved |
0.5625 | Remote Similarity | NPD9411 | Phase 1 |
0.5625 | Remote Similarity | NPD5326 | Phase 3 |
0.5618 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5607 | Remote Similarity | NPD7115 | Discovery |
0.56 | Remote Similarity | NPD4192 | Approved |
0.56 | Remote Similarity | NPD4193 | Approved |
0.56 | Remote Similarity | NPD4191 | Approved |
0.56 | Remote Similarity | NPD368 | Approved |
0.56 | Remote Similarity | NPD4194 | Approved |
PubChem CID   | 10400831 |
ChEMBL   | CHEMBL482600 |
ZINC   |
Molecular Weight:   | 268.13 |
ALogP:   | -0.7676 |
MLogP:   | 2.45 |
XLogP:   | 2.458 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 72.83 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 19 |