Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | > | 10000 | nM | 26295746 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 9157191 |
NPT2 | Others | Unspecified | IC50 | = | 5300 | nM | 18955526 | |
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10000 | nM | 11514142 |
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 NPC329704 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 |
---|---|---|
0.9789 | High Similarity | NPC27474 |
0.9789 | High Similarity | NPC476230 |
0.9684 | High Similarity | NPC476211 |
0.9684 | High Similarity | NPC476320 |
0.9583 | High Similarity | NPC216911 |
0.9388 | High Similarity | NPC329834 |
0.9381 | High Similarity | NPC476228 |
0.9368 | High Similarity | NPC170527 |
0.9158 | High Similarity | NPC274588 |
0.9072 | High Similarity | NPC86843 |
0.9062 | High Similarity | NPC93869 |
0.9062 | High Similarity | NPC6765 |
0.8969 | High Similarity | NPC284063 |
0.8932 | High Similarity | NPC208307 |
0.8557 | High Similarity | NPC235051 |
0.8557 | High Similarity | NPC66504 |
0.8302 | Intermediate Similarity | NPC110701 |
0.8095 | Intermediate Similarity | NPC37240 |
0.8077 | Intermediate Similarity | NPC4637 |
0.8077 | Intermediate Similarity | NPC98859 |
0.8037 | Intermediate Similarity | NPC197813 |
0.8037 | Intermediate Similarity | NPC148270 |
0.8037 | Intermediate Similarity | NPC80338 |
0.8 | Intermediate Similarity | NPC35185 |
0.8 | Intermediate Similarity | NPC474730 |
0.8 | Intermediate Similarity | NPC177013 |
0.8 | Intermediate Similarity | NPC4899 |
0.7982 | Intermediate Similarity | NPC193741 |
0.7944 | Intermediate Similarity | NPC170432 |
0.7944 | Intermediate Similarity | NPC127235 |
0.7925 | Intermediate Similarity | NPC475928 |
0.7921 | Intermediate Similarity | NPC470187 |
0.7905 | Intermediate Similarity | NPC3488 |
0.7905 | Intermediate Similarity | NPC20673 |
0.7905 | Intermediate Similarity | NPC287539 |
0.7885 | Intermediate Similarity | NPC151093 |
0.7838 | Intermediate Similarity | NPC475851 |
0.7838 | Intermediate Similarity | NPC475924 |
0.783 | Intermediate Similarity | NPC304163 |
0.7822 | Intermediate Similarity | NPC294643 |
0.7822 | Intermediate Similarity | NPC473150 |
0.7822 | Intermediate Similarity | NPC274274 |
0.781 | Intermediate Similarity | NPC244878 |
0.78 | Intermediate Similarity | NPC93190 |
0.7736 | Intermediate Similarity | NPC219038 |
0.7664 | Intermediate Similarity | NPC106668 |
0.7664 | Intermediate Similarity | NPC471599 |
0.7624 | Intermediate Similarity | NPC50464 |
0.7593 | Intermediate Similarity | NPC473148 |
0.7593 | Intermediate Similarity | NPC27687 |
0.757 | Intermediate Similarity | NPC471767 |
0.7547 | Intermediate Similarity | NPC96399 |
0.7547 | Intermediate Similarity | NPC90819 |
0.7547 | Intermediate Similarity | NPC469919 |
0.7547 | Intermediate Similarity | NPC469918 |
0.7547 | Intermediate Similarity | NPC117066 |
0.75 | Intermediate Similarity | NPC250594 |
0.7453 | Intermediate Similarity | NPC261372 |
0.7453 | Intermediate Similarity | NPC236580 |
0.7453 | Intermediate Similarity | NPC304445 |
0.7453 | Intermediate Similarity | NPC263674 |
0.7453 | Intermediate Similarity | NPC58267 |
0.7407 | Intermediate Similarity | NPC67296 |
0.7383 | Intermediate Similarity | NPC223700 |
0.7379 | Intermediate Similarity | NPC246173 |
0.7358 | Intermediate Similarity | NPC161293 |
0.7358 | Intermediate Similarity | NPC474297 |
0.7345 | Intermediate Similarity | NPC106760 |
0.7339 | Intermediate Similarity | NPC49393 |
0.7333 | Intermediate Similarity | NPC472198 |
0.7327 | Intermediate Similarity | NPC149018 |
0.7327 | Intermediate Similarity | NPC171484 |
0.7308 | Intermediate Similarity | NPC472199 |
0.7297 | Intermediate Similarity | NPC44004 |
0.729 | Intermediate Similarity | NPC474313 |
0.7288 | Intermediate Similarity | NPC477092 |
0.7288 | Intermediate Similarity | NPC219656 |
0.7282 | Intermediate Similarity | NPC22918 |
0.7273 | Intermediate Similarity | NPC232515 |
0.7264 | Intermediate Similarity | NPC241407 |
0.7264 | Intermediate Similarity | NPC291709 |
0.7238 | Intermediate Similarity | NPC475788 |
0.7222 | Intermediate Similarity | NPC49833 |
0.7222 | Intermediate Similarity | NPC124181 |
0.7222 | Intermediate Similarity | NPC249171 |
0.7203 | Intermediate Similarity | NPC475401 |
0.719 | Intermediate Similarity | NPC219804 |
0.7184 | Intermediate Similarity | NPC148534 |
0.7182 | Intermediate Similarity | NPC78127 |
0.7182 | Intermediate Similarity | NPC471757 |
0.7182 | Intermediate Similarity | NPC105725 |
0.7182 | Intermediate Similarity | NPC214714 |
0.7182 | Intermediate Similarity | NPC475986 |
0.7182 | Intermediate Similarity | NPC200672 |
0.7182 | Intermediate Similarity | NPC80144 |
0.7179 | Intermediate Similarity | NPC277583 |
0.717 | Intermediate Similarity | NPC63897 |
0.7168 | Intermediate Similarity | NPC117604 |
0.7168 | Intermediate Similarity | NPC224414 |
0.7167 | Intermediate Similarity | NPC233500 |
0.7155 | Intermediate Similarity | NPC102619 |
0.7143 | Intermediate Similarity | NPC276298 |
0.713 | Intermediate Similarity | NPC470684 |
0.713 | Intermediate Similarity | NPC153559 |
0.713 | Intermediate Similarity | NPC472290 |
0.713 | Intermediate Similarity | NPC470683 |
0.7129 | Intermediate Similarity | NPC98276 |
0.7129 | Intermediate Similarity | NPC259296 |
0.712 | Intermediate Similarity | NPC213634 |
0.7119 | Intermediate Similarity | NPC475305 |
0.7107 | Intermediate Similarity | NPC196130 |
0.7103 | Intermediate Similarity | NPC101051 |
0.7103 | Intermediate Similarity | NPC167893 |
0.7103 | Intermediate Similarity | NPC472873 |
0.7091 | Intermediate Similarity | NPC26557 |
0.7087 | Intermediate Similarity | NPC258501 |
0.708 | Intermediate Similarity | NPC26617 |
0.7075 | Intermediate Similarity | NPC320089 |
0.7075 | Intermediate Similarity | NPC472195 |
0.7075 | Intermediate Similarity | NPC238090 |
0.7075 | Intermediate Similarity | NPC472196 |
0.7069 | Intermediate Similarity | NPC243572 |
0.7068 | Intermediate Similarity | NPC194854 |
0.7068 | Intermediate Similarity | NPC48813 |
0.7064 | Intermediate Similarity | NPC473307 |
0.7064 | Intermediate Similarity | NPC37866 |
0.7064 | Intermediate Similarity | NPC470188 |
0.7059 | Intermediate Similarity | NPC475130 |
0.7059 | Intermediate Similarity | NPC13710 |
0.7059 | Intermediate Similarity | NPC474286 |
0.7054 | Intermediate Similarity | NPC86095 |
0.7049 | Intermediate Similarity | NPC1980 |
0.7049 | Intermediate Similarity | NPC238005 |
0.7049 | Intermediate Similarity | NPC141196 |
0.7045 | Intermediate Similarity | NPC471171 |
0.7031 | Intermediate Similarity | NPC256618 |
0.7031 | Intermediate Similarity | NPC219058 |
0.7027 | Intermediate Similarity | NPC475956 |
0.7027 | Intermediate Similarity | NPC252242 |
0.7027 | Intermediate Similarity | NPC94919 |
0.7025 | Intermediate Similarity | NPC470829 |
0.7025 | Intermediate Similarity | NPC473228 |
0.7015 | Intermediate Similarity | NPC475462 |
0.7015 | Intermediate Similarity | NPC16729 |
0.7009 | Intermediate Similarity | NPC159698 |
0.7 | Intermediate Similarity | NPC473146 |
0.7 | Intermediate Similarity | NPC130792 |
0.7 | Intermediate Similarity | NPC22149 |
0.7 | Intermediate Similarity | NPC186861 |
0.7 | Intermediate Similarity | NPC306344 |
0.7 | Intermediate Similarity | NPC255677 |
0.6992 | Remote Similarity | NPC471172 |
0.6991 | Remote Similarity | NPC470980 |
0.6991 | Remote Similarity | NPC475290 |
0.699 | Remote Similarity | NPC321812 |
0.699 | Remote Similarity | NPC322922 |
0.6984 | Remote Similarity | NPC173347 |
0.6983 | Remote Similarity | NPC272242 |
0.6981 | Remote Similarity | NPC472197 |
0.6972 | Remote Similarity | NPC474182 |
0.6972 | Remote Similarity | NPC471150 |
0.6972 | Remote Similarity | NPC181151 |
0.6964 | Remote Similarity | NPC260809 |
0.6964 | Remote Similarity | NPC234304 |
0.6964 | Remote Similarity | NPC118761 |
0.6964 | Remote Similarity | NPC197541 |
0.6964 | Remote Similarity | NPC267869 |
0.6964 | Remote Similarity | NPC474783 |
0.6964 | Remote Similarity | NPC284929 |
0.6957 | Remote Similarity | NPC15218 |
0.6953 | Remote Similarity | NPC470117 |
0.6953 | Remote Similarity | NPC475376 |
0.6953 | Remote Similarity | NPC471234 |
0.6949 | Remote Similarity | NPC106446 |
0.6944 | Remote Similarity | NPC475900 |
0.6942 | Remote Similarity | NPC281840 |
0.6937 | Remote Similarity | NPC298255 |
0.6937 | Remote Similarity | NPC28304 |
0.6935 | Remote Similarity | NPC198714 |
0.693 | Remote Similarity | NPC470169 |
0.693 | Remote Similarity | NPC470170 |
0.693 | Remote Similarity | NPC474285 |
0.693 | Remote Similarity | NPC254538 |
0.6923 | Remote Similarity | NPC475277 |
0.6923 | Remote Similarity | NPC98038 |
0.6923 | Remote Similarity | NPC473522 |
0.6923 | Remote Similarity | NPC313921 |
0.6923 | Remote Similarity | NPC31349 |
0.6923 | Remote Similarity | NPC477093 |
0.6917 | Remote Similarity | NPC472080 |
0.6917 | Remote Similarity | NPC475309 |
0.6916 | Remote Similarity | NPC474835 |
0.6909 | Remote Similarity | NPC274458 |
0.6909 | Remote Similarity | NPC474957 |
0.6909 | Remote Similarity | NPC79449 |
0.6909 | Remote Similarity | NPC472015 |
0.6909 | Remote Similarity | NPC45125 |
0.6903 | Remote Similarity | NPC80809 |
0.6903 | Remote Similarity | NPC474550 |
0.6903 | Remote Similarity | NPC220964 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC329704 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 |
---|---|---|---|
0.708 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7009 | Intermediate Similarity | NPD8133 | Approved |
0.6885 | Remote Similarity | NPD7503 | Approved |
0.6838 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6754 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.6754 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.6748 | Remote Similarity | NPD8033 | Approved |
0.6746 | Remote Similarity | NPD8293 | Discontinued |
0.6693 | Remote Similarity | NPD7736 | Approved |
0.6667 | Remote Similarity | NPD8377 | Approved |
0.6667 | Remote Similarity | NPD8294 | Approved |
0.6641 | Remote Similarity | NPD7319 | Approved |
0.6639 | Remote Similarity | NPD7327 | Approved |
0.6639 | Remote Similarity | NPD7328 | Approved |
0.6613 | Remote Similarity | NPD8378 | Approved |
0.6613 | Remote Similarity | NPD8296 | Approved |
0.6613 | Remote Similarity | NPD8380 | Approved |
0.6613 | Remote Similarity | NPD8335 | Approved |
0.6613 | Remote Similarity | NPD8379 | Approved |
0.6613 | Remote Similarity | NPD8513 | Phase 3 |
0.6604 | Remote Similarity | NPD4251 | Approved |
0.6604 | Remote Similarity | NPD4250 | Approved |
0.6585 | Remote Similarity | NPD7516 | Approved |
0.6581 | Remote Similarity | NPD6686 | Approved |
0.656 | Remote Similarity | NPD6370 | Approved |
0.6535 | Remote Similarity | NPD7507 | Approved |
0.6509 | Remote Similarity | NPD4249 | Approved |
0.65 | Remote Similarity | NPD6053 | Discontinued |
0.648 | Remote Similarity | NPD8515 | Approved |
0.648 | Remote Similarity | NPD8516 | Approved |
0.648 | Remote Similarity | NPD8517 | Approved |
0.6471 | Remote Similarity | NPD6371 | Approved |
0.646 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6457 | Remote Similarity | NPD7492 | Approved |
0.6406 | Remote Similarity | NPD6616 | Approved |
0.64 | Remote Similarity | NPD6059 | Approved |
0.64 | Remote Similarity | NPD6319 | Approved |
0.64 | Remote Similarity | NPD6054 | Approved |
0.6364 | Remote Similarity | NPD7983 | Approved |
0.6357 | Remote Similarity | NPD7078 | Approved |
0.6356 | Remote Similarity | NPD6412 | Phase 2 |
0.6349 | Remote Similarity | NPD8274 | Clinical (unspecified phase) |
0.6299 | Remote Similarity | NPD8080 | Discontinued |
0.6273 | Remote Similarity | NPD46 | Approved |
0.6273 | Remote Similarity | NPD6698 | Approved |
0.6273 | Remote Similarity | NPD7838 | Discovery |
0.6262 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4822 | Approved |
0.625 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4820 | Approved |
0.625 | Remote Similarity | NPD4821 | Approved |
0.625 | Remote Similarity | NPD4819 | Approved |
0.622 | Remote Similarity | NPD6016 | Approved |
0.622 | Remote Similarity | NPD6015 | Approved |
0.6172 | Remote Similarity | NPD5988 | Approved |
0.616 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.616 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6124 | Remote Similarity | NPD8328 | Phase 3 |
0.6098 | Remote Similarity | NPD6882 | Approved |
0.6098 | Remote Similarity | NPD8297 | Approved |
0.6075 | Remote Similarity | NPD7154 | Phase 3 |
0.6071 | Remote Similarity | NPD7637 | Suspended |
0.6058 | Remote Similarity | NPD4268 | Approved |
0.6058 | Remote Similarity | NPD4271 | Approved |
0.6033 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.6032 | Remote Similarity | NPD6009 | Approved |
0.6 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5985 | Remote Similarity | NPD8074 | Phase 3 |
0.5983 | Remote Similarity | NPD7639 | Approved |
0.5983 | Remote Similarity | NPD7640 | Approved |
0.5981 | Remote Similarity | NPD6435 | Approved |
0.5965 | Remote Similarity | NPD5282 | Discontinued |
0.5948 | Remote Similarity | NPD6084 | Phase 2 |
0.5948 | Remote Similarity | NPD6083 | Phase 2 |
0.5942 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.594 | Remote Similarity | NPD6033 | Approved |
0.5932 | Remote Similarity | NPD5344 | Discontinued |
0.5926 | Remote Similarity | NPD5362 | Discontinued |
0.5913 | Remote Similarity | NPD5695 | Phase 3 |
0.5909 | Remote Similarity | NPD8451 | Approved |
0.5906 | Remote Similarity | NPD7115 | Discovery |
0.5905 | Remote Similarity | NPD4238 | Approved |
0.5905 | Remote Similarity | NPD4802 | Phase 2 |
0.5897 | Remote Similarity | NPD4225 | Approved |
0.5897 | Remote Similarity | NPD7638 | Approved |
0.5888 | Remote Similarity | NPD5369 | Approved |
0.5868 | Remote Similarity | NPD7128 | Approved |
0.5868 | Remote Similarity | NPD6402 | Approved |
0.5868 | Remote Similarity | NPD6675 | Approved |
0.5868 | Remote Similarity | NPD5739 | Approved |
0.5865 | Remote Similarity | NPD8448 | Approved |
0.5862 | Remote Similarity | NPD7839 | Suspended |
0.5856 | Remote Similarity | NPD7524 | Approved |
0.5854 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.5854 | Remote Similarity | NPD6372 | Approved |
0.5854 | Remote Similarity | NPD6373 | Approved |
0.5852 | Remote Similarity | NPD5956 | Approved |
0.5846 | Remote Similarity | NPD8444 | Approved |
0.5841 | Remote Similarity | NPD5785 | Approved |
0.5833 | Remote Similarity | NPD4270 | Approved |
0.5833 | Remote Similarity | NPD8342 | Approved |
0.5833 | Remote Similarity | NPD8340 | Approved |
0.5833 | Remote Similarity | NPD8299 | Approved |
0.5833 | Remote Similarity | NPD8341 | Approved |
0.5833 | Remote Similarity | NPD4269 | Approved |
0.5798 | Remote Similarity | NPD1700 | Approved |
0.5794 | Remote Similarity | NPD5368 | Approved |
0.5794 | Remote Similarity | NPD4632 | Approved |
0.5785 | Remote Similarity | NPD8170 | Clinical (unspecified phase) |
0.578 | Remote Similarity | NPD6110 | Phase 1 |
0.578 | Remote Similarity | NPD5332 | Approved |
0.578 | Remote Similarity | NPD5331 | Approved |
0.5772 | Remote Similarity | NPD6881 | Approved |
0.5772 | Remote Similarity | NPD7320 | Approved |
0.5772 | Remote Similarity | NPD6899 | Approved |
0.5766 | Remote Similarity | NPD5786 | Approved |
0.5763 | Remote Similarity | NPD5696 | Approved |
0.576 | Remote Similarity | NPD6650 | Approved |
0.576 | Remote Similarity | NPD8130 | Phase 1 |
0.576 | Remote Similarity | NPD6649 | Approved |
0.5758 | Remote Similarity | NPD7829 | Approved |
0.5758 | Remote Similarity | NPD7830 | Approved |
0.5752 | Remote Similarity | NPD1695 | Approved |
0.5741 | Remote Similarity | NPD4790 | Discontinued |
0.5739 | Remote Similarity | NPD5779 | Approved |
0.5739 | Remote Similarity | NPD5778 | Approved |
0.5739 | Remote Similarity | NPD8171 | Discontinued |
0.5735 | Remote Similarity | NPD8391 | Approved |
0.5735 | Remote Similarity | NPD8392 | Approved |
0.5735 | Remote Similarity | NPD8390 | Approved |
0.5727 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5727 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD6648 | Approved |
0.5704 | Remote Similarity | NPD8337 | Approved |
0.5704 | Remote Similarity | NPD8336 | Approved |
0.5691 | Remote Similarity | NPD5697 | Approved |
0.5691 | Remote Similarity | NPD5701 | Approved |
0.568 | Remote Similarity | NPD4634 | Approved |
0.568 | Remote Similarity | NPD6883 | Approved |
0.568 | Remote Similarity | NPD7102 | Approved |
0.568 | Remote Similarity | NPD7290 | Approved |
0.5676 | Remote Similarity | NPD5363 | Approved |
0.5652 | Remote Similarity | NPD8034 | Phase 2 |
0.5652 | Remote Similarity | NPD8035 | Phase 2 |
0.5652 | Remote Similarity | NPD5693 | Phase 1 |
0.5648 | Remote Similarity | NPD4252 | Approved |
0.5643 | Remote Similarity | NPD8387 | Clinical (unspecified phase) |
0.5639 | Remote Similarity | NPD7642 | Approved |
0.5639 | Remote Similarity | NPD7604 | Phase 2 |
0.5636 | Remote Similarity | NPD3669 | Approved |
0.5636 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD6695 | Phase 3 |
0.5635 | Remote Similarity | NPD6847 | Approved |
0.5635 | Remote Similarity | NPD6617 | Approved |
0.5635 | Remote Similarity | NPD6869 | Approved |
0.562 | Remote Similarity | NPD8084 | Approved |
0.562 | Remote Similarity | NPD8138 | Approved |
0.562 | Remote Similarity | NPD8086 | Approved |
0.562 | Remote Similarity | NPD8082 | Approved |
0.562 | Remote Similarity | NPD7632 | Discontinued |
0.562 | Remote Similarity | NPD8083 | Approved |
0.562 | Remote Similarity | NPD8085 | Approved |
0.562 | Remote Similarity | NPD8139 | Approved |
0.5614 | Remote Similarity | NPD6051 | Approved |
0.5606 | Remote Similarity | NPD8266 | Approved |
0.5606 | Remote Similarity | NPD8269 | Approved |
0.5606 | Remote Similarity | NPD8267 | Approved |
0.5606 | Remote Similarity | NPD5983 | Phase 2 |
0.5606 | Remote Similarity | NPD6921 | Approved |
0.5606 | Remote Similarity | NPD8268 | Approved |
0.56 | Remote Similarity | NPD6012 | Approved |
0.56 | Remote Similarity | NPD6014 | Approved |
0.56 | Remote Similarity | NPD6013 | Approved |
PubChem CID   | 42640645 |
ChEMBL   | CHEMBL552776 |
ZINC   |
Molecular Weight:   | 700.33 |
ALogP:   | -0.1055 |
MLogP:   | 3.55 |
XLogP:   | 3.522 |
# Rotatable Bonds:   | 34 |
Polar Surface Area:   | 207.49 |
# H-Bond Aceptor:   | 15 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 49 |