Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 120400 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | IC50 | = | 52400 | nM | 17074796 | |
NPT2 | Others | Unspecified | IC50 | = | 56300 | nM | 17074796 | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | = | 118500 | nM | 17074796 |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 130500 | nM | 17524651 |
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 NPC476037 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 |
---|---|---|
0.9701 | High Similarity | NPC329890 |
0.9697 | High Similarity | NPC476012 |
0.9412 | High Similarity | NPC329914 |
0.9385 | High Similarity | NPC146811 |
0.9286 | High Similarity | NPC188860 |
0.9155 | High Similarity | NPC233071 |
0.8904 | High Similarity | NPC1180 |
0.8857 | High Similarity | NPC327383 |
0.8857 | High Similarity | NPC185186 |
0.8714 | High Similarity | NPC293114 |
0.8714 | High Similarity | NPC316185 |
0.8667 | High Similarity | NPC315731 |
0.8611 | High Similarity | NPC285840 |
0.8611 | High Similarity | NPC327041 |
0.8611 | High Similarity | NPC260396 |
0.8592 | High Similarity | NPC284006 |
0.8514 | High Similarity | NPC248775 |
0.8485 | Intermediate Similarity | NPC26810 |
0.8472 | Intermediate Similarity | NPC315843 |
0.8421 | Intermediate Similarity | NPC184208 |
0.8421 | Intermediate Similarity | NPC8538 |
0.84 | Intermediate Similarity | NPC180725 |
0.84 | Intermediate Similarity | NPC470149 |
0.84 | Intermediate Similarity | NPC470148 |
0.8333 | Intermediate Similarity | NPC473308 |
0.8289 | Intermediate Similarity | NPC470147 |
0.8289 | Intermediate Similarity | NPC133226 |
0.8286 | Intermediate Similarity | NPC63873 |
0.8219 | Intermediate Similarity | NPC107654 |
0.8205 | Intermediate Similarity | NPC473315 |
0.8205 | Intermediate Similarity | NPC142111 |
0.8158 | Intermediate Similarity | NPC139712 |
0.8133 | Intermediate Similarity | NPC474026 |
0.8125 | Intermediate Similarity | NPC208473 |
0.8116 | Intermediate Similarity | NPC96414 |
0.8116 | Intermediate Similarity | NPC282760 |
0.8116 | Intermediate Similarity | NPC19769 |
0.8077 | Intermediate Similarity | NPC251026 |
0.8028 | Intermediate Similarity | NPC474823 |
0.8028 | Intermediate Similarity | NPC238223 |
0.8026 | Intermediate Similarity | NPC182292 |
0.8 | Intermediate Similarity | NPC472808 |
0.8 | Intermediate Similarity | NPC324224 |
0.8 | Intermediate Similarity | NPC201356 |
0.7945 | Intermediate Similarity | NPC477087 |
0.7945 | Intermediate Similarity | NPC477086 |
0.7917 | Intermediate Similarity | NPC475004 |
0.791 | Intermediate Similarity | NPC97570 |
0.791 | Intermediate Similarity | NPC222852 |
0.7901 | Intermediate Similarity | NPC61527 |
0.7887 | Intermediate Similarity | NPC122627 |
0.7887 | Intermediate Similarity | NPC49863 |
0.7887 | Intermediate Similarity | NPC132286 |
0.7838 | Intermediate Similarity | NPC477085 |
0.7808 | Intermediate Similarity | NPC473361 |
0.7808 | Intermediate Similarity | NPC329904 |
0.7805 | Intermediate Similarity | NPC313658 |
0.7805 | Intermediate Similarity | NPC316138 |
0.7805 | Intermediate Similarity | NPC199382 |
0.7794 | Intermediate Similarity | NPC327112 |
0.7763 | Intermediate Similarity | NPC469880 |
0.7763 | Intermediate Similarity | NPC477202 |
0.7761 | Intermediate Similarity | NPC223679 |
0.7746 | Intermediate Similarity | NPC37382 |
0.7746 | Intermediate Similarity | NPC328653 |
0.7746 | Intermediate Similarity | NPC276299 |
0.7722 | Intermediate Similarity | NPC469469 |
0.7711 | Intermediate Similarity | NPC470137 |
0.7703 | Intermediate Similarity | NPC475762 |
0.7692 | Intermediate Similarity | NPC55304 |
0.7692 | Intermediate Similarity | NPC226226 |
0.7671 | Intermediate Similarity | NPC143396 |
0.7671 | Intermediate Similarity | NPC151481 |
0.7671 | Intermediate Similarity | NPC475982 |
0.7662 | Intermediate Similarity | NPC475711 |
0.7662 | Intermediate Similarity | NPC477203 |
0.7654 | Intermediate Similarity | NPC186155 |
0.7654 | Intermediate Similarity | NPC160517 |
0.7654 | Intermediate Similarity | NPC78673 |
0.7647 | Intermediate Similarity | NPC22897 |
0.7647 | Intermediate Similarity | NPC159650 |
0.7639 | Intermediate Similarity | NPC478097 |
0.7612 | Intermediate Similarity | NPC44542 |
0.7612 | Intermediate Similarity | NPC129150 |
0.7606 | Intermediate Similarity | NPC323045 |
0.7606 | Intermediate Similarity | NPC323477 |
0.7606 | Intermediate Similarity | NPC317881 |
0.76 | Intermediate Similarity | NPC325627 |
0.7571 | Intermediate Similarity | NPC473737 |
0.7571 | Intermediate Similarity | NPC29697 |
0.7568 | Intermediate Similarity | NPC4299 |
0.7558 | Intermediate Similarity | NPC109406 |
0.7536 | Intermediate Similarity | NPC26223 |
0.7536 | Intermediate Similarity | NPC328311 |
0.7534 | Intermediate Similarity | NPC475760 |
0.7532 | Intermediate Similarity | NPC326661 |
0.7531 | Intermediate Similarity | NPC116543 |
0.7529 | Intermediate Similarity | NPC473311 |
0.75 | Intermediate Similarity | NPC254095 |
0.75 | Intermediate Similarity | NPC474321 |
0.75 | Intermediate Similarity | NPC92558 |
0.75 | Intermediate Similarity | NPC470686 |
0.75 | Intermediate Similarity | NPC474545 |
0.7468 | Intermediate Similarity | NPC321728 |
0.7468 | Intermediate Similarity | NPC471537 |
0.7465 | Intermediate Similarity | NPC308457 |
0.7465 | Intermediate Similarity | NPC470808 |
0.7465 | Intermediate Similarity | NPC148233 |
0.7465 | Intermediate Similarity | NPC25747 |
0.7442 | Intermediate Similarity | NPC476075 |
0.7442 | Intermediate Similarity | NPC476084 |
0.7442 | Intermediate Similarity | NPC206679 |
0.7442 | Intermediate Similarity | NPC114172 |
0.7442 | Intermediate Similarity | NPC471324 |
0.7436 | Intermediate Similarity | NPC84360 |
0.7432 | Intermediate Similarity | NPC236208 |
0.7432 | Intermediate Similarity | NPC101622 |
0.7432 | Intermediate Similarity | NPC470436 |
0.7429 | Intermediate Similarity | NPC66460 |
0.7429 | Intermediate Similarity | NPC113293 |
0.7429 | Intermediate Similarity | NPC325929 |
0.7429 | Intermediate Similarity | NPC271282 |
0.7429 | Intermediate Similarity | NPC55376 |
0.7407 | Intermediate Similarity | NPC313677 |
0.7397 | Intermediate Similarity | NPC25298 |
0.7397 | Intermediate Similarity | NPC478100 |
0.7391 | Intermediate Similarity | NPC322186 |
0.7391 | Intermediate Similarity | NPC318306 |
0.7391 | Intermediate Similarity | NPC329249 |
0.7381 | Intermediate Similarity | NPC118077 |
0.7381 | Intermediate Similarity | NPC475186 |
0.7368 | Intermediate Similarity | NPC470435 |
0.7361 | Intermediate Similarity | NPC476655 |
0.7361 | Intermediate Similarity | NPC478099 |
0.7361 | Intermediate Similarity | NPC470123 |
0.7361 | Intermediate Similarity | NPC471556 |
0.7361 | Intermediate Similarity | NPC255863 |
0.7361 | Intermediate Similarity | NPC478098 |
0.7361 | Intermediate Similarity | NPC136164 |
0.7361 | Intermediate Similarity | NPC476654 |
0.7361 | Intermediate Similarity | NPC320642 |
0.7361 | Intermediate Similarity | NPC476657 |
0.7361 | Intermediate Similarity | NPC245947 |
0.7356 | Intermediate Similarity | NPC159092 |
0.7353 | Intermediate Similarity | NPC212730 |
0.7353 | Intermediate Similarity | NPC135863 |
0.7353 | Intermediate Similarity | NPC294938 |
0.7353 | Intermediate Similarity | NPC265551 |
0.7353 | Intermediate Similarity | NPC472445 |
0.7353 | Intermediate Similarity | NPC249850 |
0.7353 | Intermediate Similarity | NPC293437 |
0.7349 | Intermediate Similarity | NPC471494 |
0.7342 | Intermediate Similarity | NPC474816 |
0.7342 | Intermediate Similarity | NPC477314 |
0.7342 | Intermediate Similarity | NPC473471 |
0.7342 | Intermediate Similarity | NPC209135 |
0.7333 | Intermediate Similarity | NPC59558 |
0.7326 | Intermediate Similarity | NPC3952 |
0.7324 | Intermediate Similarity | NPC210303 |
0.7324 | Intermediate Similarity | NPC179087 |
0.7324 | Intermediate Similarity | NPC44343 |
0.7317 | Intermediate Similarity | NPC315559 |
0.7317 | Intermediate Similarity | NPC253801 |
0.7317 | Intermediate Similarity | NPC16488 |
0.7317 | Intermediate Similarity | NPC44261 |
0.7317 | Intermediate Similarity | NPC474809 |
0.7317 | Intermediate Similarity | NPC161045 |
0.7313 | Intermediate Similarity | NPC317899 |
0.7308 | Intermediate Similarity | NPC16279 |
0.7308 | Intermediate Similarity | NPC256640 |
0.7308 | Intermediate Similarity | NPC205615 |
0.7286 | Intermediate Similarity | NPC471278 |
0.7286 | Intermediate Similarity | NPC299730 |
0.7284 | Intermediate Similarity | NPC475944 |
0.7284 | Intermediate Similarity | NPC297440 |
0.7284 | Intermediate Similarity | NPC112868 |
0.7273 | Intermediate Similarity | NPC227396 |
0.7273 | Intermediate Similarity | NPC469491 |
0.7262 | Intermediate Similarity | NPC279267 |
0.7262 | Intermediate Similarity | NPC311163 |
0.7262 | Intermediate Similarity | NPC69082 |
0.7262 | Intermediate Similarity | NPC315395 |
0.7262 | Intermediate Similarity | NPC316426 |
0.726 | Intermediate Similarity | NPC478101 |
0.726 | Intermediate Similarity | NPC476659 |
0.726 | Intermediate Similarity | NPC248125 |
0.726 | Intermediate Similarity | NPC476656 |
0.726 | Intermediate Similarity | NPC124586 |
0.7246 | Intermediate Similarity | NPC474084 |
0.7237 | Intermediate Similarity | NPC472254 |
0.7229 | Intermediate Similarity | NPC475035 |
0.7229 | Intermediate Similarity | NPC163093 |
0.7229 | Intermediate Similarity | NPC161670 |
0.7229 | Intermediate Similarity | NPC266718 |
0.7222 | Intermediate Similarity | NPC477457 |
0.7222 | Intermediate Similarity | NPC477456 |
0.7222 | Intermediate Similarity | NPC476658 |
0.7215 | Intermediate Similarity | NPC49302 |
0.7215 | Intermediate Similarity | NPC262747 |
0.7215 | Intermediate Similarity | NPC51809 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476037 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 |
---|---|---|---|
0.7887 | Intermediate Similarity | NPD4247 | Clinical (unspecified phase) |
0.7794 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.7529 | Intermediate Similarity | NPD7838 | Discovery |
0.6957 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6824 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6747 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6742 | Remote Similarity | NPD46 | Approved |
0.6742 | Remote Similarity | NPD6698 | Approved |
0.6702 | Remote Similarity | NPD6648 | Approved |
0.6667 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD7983 | Approved |
0.6667 | Remote Similarity | NPD7637 | Suspended |
0.6632 | Remote Similarity | NPD5344 | Discontinued |
0.6593 | Remote Similarity | NPD5778 | Approved |
0.6593 | Remote Similarity | NPD5779 | Approved |
0.6591 | Remote Similarity | NPD4251 | Approved |
0.6591 | Remote Similarity | NPD4250 | Approved |
0.6585 | Remote Similarity | NPD4756 | Discovery |
0.6556 | Remote Similarity | NPD5785 | Approved |
0.6528 | Remote Similarity | NPD585 | Clinical (unspecified phase) |
0.6512 | Remote Similarity | NPD7154 | Phase 3 |
0.6506 | Remote Similarity | NPD4268 | Approved |
0.6506 | Remote Similarity | NPD4271 | Approved |
0.6477 | Remote Similarity | NPD4249 | Approved |
0.6418 | Remote Similarity | NPD4220 | Pre-registration |
0.6395 | Remote Similarity | NPD5209 | Approved |
0.6383 | Remote Similarity | NPD7839 | Suspended |
0.6364 | Remote Similarity | NPD5363 | Approved |
0.6353 | Remote Similarity | NPD4820 | Approved |
0.6353 | Remote Similarity | NPD4822 | Approved |
0.6353 | Remote Similarity | NPD4819 | Approved |
0.6353 | Remote Similarity | NPD4821 | Approved |
0.6316 | Remote Similarity | NPD3197 | Phase 1 |
0.6301 | Remote Similarity | NPD6109 | Phase 1 |
0.6296 | Remote Similarity | NPD4732 | Discontinued |
0.6232 | Remote Similarity | NPD6927 | Phase 3 |
0.6163 | Remote Similarity | NPD4252 | Approved |
0.6136 | Remote Similarity | NPD5362 | Discontinued |
0.6118 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6104 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6082 | Remote Similarity | NPD4225 | Approved |
0.6081 | Remote Similarity | NPD9119 | Approved |
0.6081 | Remote Similarity | NPD69 | Approved |
0.6029 | Remote Similarity | NPD5343 | Approved |
0.6023 | Remote Similarity | NPD4269 | Approved |
0.6023 | Remote Similarity | NPD4270 | Approved |
0.602 | Remote Similarity | NPD7639 | Approved |
0.602 | Remote Similarity | NPD7640 | Approved |
0.6 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5977 | Remote Similarity | NPD7332 | Phase 2 |
0.5977 | Remote Similarity | NPD7514 | Phase 3 |
0.5972 | Remote Similarity | NPD3195 | Phase 2 |
0.5972 | Remote Similarity | NPD4266 | Approved |
0.5972 | Remote Similarity | NPD3196 | Approved |
0.5972 | Remote Similarity | NPD3194 | Approved |
0.597 | Remote Similarity | NPD4265 | Approved |
0.597 | Remote Similarity | NPD39 | Approved |
0.5962 | Remote Similarity | NPD6371 | Approved |
0.5955 | Remote Similarity | NPD6695 | Phase 3 |
0.5955 | Remote Similarity | NPD5332 | Approved |
0.5955 | Remote Similarity | NPD5331 | Approved |
0.5952 | Remote Similarity | NPD8039 | Approved |
0.5946 | Remote Similarity | NPD9118 | Approved |
0.5942 | Remote Similarity | NPD3173 | Approved |
0.5938 | Remote Similarity | NPD1698 | Clinical (unspecified phase) |
0.5934 | Remote Similarity | NPD5786 | Approved |
0.593 | Remote Similarity | NPD7145 | Approved |
0.5918 | Remote Similarity | NPD7638 | Approved |
0.5914 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.5914 | Remote Similarity | NPD6101 | Approved |
0.5909 | Remote Similarity | NPD4790 | Discontinued |
0.5909 | Remote Similarity | NPD6902 | Approved |
0.5889 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5876 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5844 | Remote Similarity | NPD4192 | Approved |
0.5844 | Remote Similarity | NPD4194 | Approved |
0.5844 | Remote Similarity | NPD4193 | Approved |
0.5844 | Remote Similarity | NPD4191 | Approved |
0.5843 | Remote Similarity | NPD6435 | Approved |
0.5842 | Remote Similarity | NPD6647 | Phase 2 |
0.5833 | Remote Similarity | NPD3172 | Approved |
0.5825 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5821 | Remote Similarity | NPD6096 | Approved |
0.5821 | Remote Similarity | NPD6097 | Approved |
0.5814 | Remote Similarity | NPD6925 | Approved |
0.5814 | Remote Similarity | NPD5776 | Phase 2 |
0.5789 | Remote Similarity | NPD6411 | Approved |
0.5778 | Remote Similarity | NPD6110 | Phase 1 |
0.5769 | Remote Similarity | NPD6686 | Approved |
0.5769 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD8264 | Approved |
0.5745 | Remote Similarity | NPD5370 | Suspended |
0.5735 | Remote Similarity | NPD4222 | Approved |
0.573 | Remote Similarity | NPD5369 | Approved |
0.5699 | Remote Similarity | NPD7750 | Discontinued |
0.5699 | Remote Similarity | NPD7524 | Approved |
0.5682 | Remote Similarity | NPD6929 | Approved |
0.5672 | Remote Similarity | NPD5326 | Phase 3 |
0.5652 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD7505 | Discontinued |
0.5632 | Remote Similarity | NPD6932 | Approved |
0.5625 | Remote Similarity | NPD4810 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD8259 | Clinical (unspecified phase) |
0.5618 | Remote Similarity | NPD5368 | Approved |
0.5618 | Remote Similarity | NPD6931 | Approved |
0.5618 | Remote Similarity | NPD6930 | Phase 2 |
0.5614 | Remote Similarity | NPD7829 | Approved |
0.5614 | Remote Similarity | NPD7830 | Approved |
0.5607 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
PubChem CID   | 11553515 |
ChEMBL   | CHEMBL523119 |
ZINC   |
Molecular Weight:   | 418.24 |
ALogP:   | 0.2143 |
MLogP:   | 3.44 |
XLogP:   | 2.49 |
# Rotatable Bonds:   | 7 |
Polar Surface Area:   | 107.22 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 30 |