Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 7700 | nM | 8411013 |
NPT2 | Others | Unspecified | IC50 | = | 7100 | nM | 8411013 | |
NPT2 | Others | Unspecified | IC50 | = | 5200 | nM | Open TG-GATES in vivo data: Hematology | |
NPT2 | Others | Unspecified | IC50 | = | 8300 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | = | 9100 | nM | PubChem BioAssay data set | |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Survival | = | 31.1 | % | 7623047 |
NPT2 | Others | Unspecified | IC50 | = | 2600 | nM | 24045008 | |
NPT113 | Cell Line | RAW264.7 | Mus musculus | Inhibition | = | 99.2 | % | 16417306 |
NPT113 | Cell Line | RAW264.7 | Mus musculus | IC50 | = | 6600 | nM | PubChem BioAssay data set |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 5200 | nM | 25856683 |
NPT71 | Cell Line | HEK293 | Homo sapiens | Survival | = | 95.1 | % | 19654408 |
NPT2 | Others | Unspecified | Inhibition | = | 95.8 | % | 23368966 |
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 NPC32494 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 | NPC175842 |
0.9655 | High Similarity | NPC59646 |
0.9545 | High Similarity | NPC470521 |
0.9535 | High Similarity | NPC242877 |
0.9535 | High Similarity | NPC64913 |
0.9425 | High Similarity | NPC3436 |
0.9318 | High Similarity | NPC470520 |
0.931 | High Similarity | NPC225283 |
0.9231 | High Similarity | NPC471490 |
0.9011 | High Similarity | NPC471492 |
0.8977 | High Similarity | NPC260343 |
0.8817 | High Similarity | NPC2666 |
0.871 | High Similarity | NPC473333 |
0.8421 | Intermediate Similarity | NPC471462 |
0.8222 | Intermediate Similarity | NPC130030 |
0.8105 | Intermediate Similarity | NPC474338 |
0.8081 | Intermediate Similarity | NPC197835 |
0.8081 | Intermediate Similarity | NPC189609 |
0.8081 | Intermediate Similarity | NPC291500 |
0.8081 | Intermediate Similarity | NPC303653 |
0.8081 | Intermediate Similarity | NPC140591 |
0.7961 | Intermediate Similarity | NPC38154 |
0.7938 | Intermediate Similarity | NPC299396 |
0.7938 | Intermediate Similarity | NPC301596 |
0.7778 | Intermediate Similarity | NPC187268 |
0.7755 | Intermediate Similarity | NPC172998 |
0.7742 | Intermediate Similarity | NPC469483 |
0.7708 | Intermediate Similarity | NPC158061 |
0.7653 | Intermediate Similarity | NPC273197 |
0.7653 | Intermediate Similarity | NPC234339 |
0.7634 | Intermediate Similarity | NPC471185 |
0.7629 | Intermediate Similarity | NPC189651 |
0.7629 | Intermediate Similarity | NPC471483 |
0.7629 | Intermediate Similarity | NPC475098 |
0.7579 | Intermediate Similarity | NPC476805 |
0.7579 | Intermediate Similarity | NPC475819 |
0.7576 | Intermediate Similarity | NPC288350 |
0.7576 | Intermediate Similarity | NPC173329 |
0.7576 | Intermediate Similarity | NPC230800 |
0.7553 | Intermediate Similarity | NPC204048 |
0.7553 | Intermediate Similarity | NPC305475 |
0.7553 | Intermediate Similarity | NPC475461 |
0.7553 | Intermediate Similarity | NPC261721 |
0.7551 | Intermediate Similarity | NPC469632 |
0.7529 | Intermediate Similarity | NPC232812 |
0.7528 | Intermediate Similarity | NPC315394 |
0.7526 | Intermediate Similarity | NPC261607 |
0.7526 | Intermediate Similarity | NPC111114 |
0.7526 | Intermediate Similarity | NPC300312 |
0.7525 | Intermediate Similarity | NPC469864 |
0.7525 | Intermediate Similarity | NPC469872 |
0.75 | Intermediate Similarity | NPC329852 |
0.7475 | Intermediate Similarity | NPC471141 |
0.7474 | Intermediate Similarity | NPC160138 |
0.7451 | Intermediate Similarity | NPC469851 |
0.7449 | Intermediate Similarity | NPC156553 |
0.7447 | Intermediate Similarity | NPC470755 |
0.7447 | Intermediate Similarity | NPC255307 |
0.7442 | Intermediate Similarity | NPC37929 |
0.7442 | Intermediate Similarity | NPC64234 |
0.7426 | Intermediate Similarity | NPC203627 |
0.7419 | Intermediate Similarity | NPC475947 |
0.74 | Intermediate Similarity | NPC16967 |
0.7396 | Intermediate Similarity | NPC469653 |
0.7396 | Intermediate Similarity | NPC471047 |
0.7396 | Intermediate Similarity | NPC469628 |
0.7396 | Intermediate Similarity | NPC475906 |
0.7396 | Intermediate Similarity | NPC471956 |
0.7396 | Intermediate Similarity | NPC469631 |
0.7391 | Intermediate Similarity | NPC325031 |
0.7391 | Intermediate Similarity | NPC474894 |
0.7391 | Intermediate Similarity | NPC78677 |
0.7391 | Intermediate Similarity | NPC141810 |
0.7391 | Intermediate Similarity | NPC8538 |
0.7391 | Intermediate Similarity | NPC59994 |
0.7391 | Intermediate Similarity | NPC315731 |
0.7391 | Intermediate Similarity | NPC112868 |
0.7391 | Intermediate Similarity | NPC184208 |
0.7386 | Intermediate Similarity | NPC470686 |
0.7374 | Intermediate Similarity | NPC256368 |
0.7374 | Intermediate Similarity | NPC167219 |
0.7374 | Intermediate Similarity | NPC191521 |
0.7374 | Intermediate Similarity | NPC474247 |
0.7374 | Intermediate Similarity | NPC477131 |
0.7374 | Intermediate Similarity | NPC140543 |
0.7368 | Intermediate Similarity | NPC162071 |
0.7368 | Intermediate Similarity | NPC150755 |
0.7347 | Intermediate Similarity | NPC2882 |
0.734 | Intermediate Similarity | NPC475706 |
0.734 | Intermediate Similarity | NPC158756 |
0.734 | Intermediate Similarity | NPC114979 |
0.734 | Intermediate Similarity | NPC191476 |
0.732 | Intermediate Similarity | NPC295312 |
0.732 | Intermediate Similarity | NPC212598 |
0.73 | Intermediate Similarity | NPC304886 |
0.7292 | Intermediate Similarity | NPC72513 |
0.7282 | Intermediate Similarity | NPC219038 |
0.7282 | Intermediate Similarity | NPC110443 |
0.7282 | Intermediate Similarity | NPC128733 |
0.7282 | Intermediate Similarity | NPC4637 |
0.7282 | Intermediate Similarity | NPC185141 |
0.7282 | Intermediate Similarity | NPC98859 |
0.7282 | Intermediate Similarity | NPC133907 |
0.7282 | Intermediate Similarity | NPC46998 |
0.7273 | Intermediate Similarity | NPC475838 |
0.7273 | Intermediate Similarity | NPC205034 |
0.7273 | Intermediate Similarity | NPC228451 |
0.7273 | Intermediate Similarity | NPC152778 |
0.7273 | Intermediate Similarity | NPC469692 |
0.7273 | Intermediate Similarity | NPC469645 |
0.7273 | Intermediate Similarity | NPC475302 |
0.7273 | Intermediate Similarity | NPC472954 |
0.7273 | Intermediate Similarity | NPC476300 |
0.7273 | Intermediate Similarity | NPC162615 |
0.7273 | Intermediate Similarity | NPC125674 |
0.7264 | Intermediate Similarity | NPC475074 |
0.7263 | Intermediate Similarity | NPC261380 |
0.7263 | Intermediate Similarity | NPC215364 |
0.7263 | Intermediate Similarity | NPC11804 |
0.7263 | Intermediate Similarity | NPC165162 |
0.7255 | Intermediate Similarity | NPC141191 |
0.7255 | Intermediate Similarity | NPC474440 |
0.7253 | Intermediate Similarity | NPC93763 |
0.7253 | Intermediate Similarity | NPC108816 |
0.7245 | Intermediate Similarity | NPC475995 |
0.7245 | Intermediate Similarity | NPC144133 |
0.7245 | Intermediate Similarity | NPC177668 |
0.7245 | Intermediate Similarity | NPC129419 |
0.7245 | Intermediate Similarity | NPC475855 |
0.7245 | Intermediate Similarity | NPC179394 |
0.7245 | Intermediate Similarity | NPC474098 |
0.7245 | Intermediate Similarity | NPC474232 |
0.7245 | Intermediate Similarity | NPC80875 |
0.7245 | Intermediate Similarity | NPC473448 |
0.7241 | Intermediate Similarity | NPC315285 |
0.7234 | Intermediate Similarity | NPC474809 |
0.7234 | Intermediate Similarity | NPC131669 |
0.7234 | Intermediate Similarity | NPC169575 |
0.7234 | Intermediate Similarity | NPC16488 |
0.7234 | Intermediate Similarity | NPC473390 |
0.7234 | Intermediate Similarity | NPC475714 |
0.7234 | Intermediate Similarity | NPC44261 |
0.7234 | Intermediate Similarity | NPC40746 |
0.7234 | Intermediate Similarity | NPC116543 |
0.7228 | Intermediate Similarity | NPC279621 |
0.7222 | Intermediate Similarity | NPC301525 |
0.7222 | Intermediate Similarity | NPC469880 |
0.7222 | Intermediate Similarity | NPC123360 |
0.7216 | Intermediate Similarity | NPC472378 |
0.7216 | Intermediate Similarity | NPC473658 |
0.7216 | Intermediate Similarity | NPC475902 |
0.7216 | Intermediate Similarity | NPC476803 |
0.7212 | Intermediate Similarity | NPC149371 |
0.7212 | Intermediate Similarity | NPC471599 |
0.7204 | Intermediate Similarity | NPC281949 |
0.7204 | Intermediate Similarity | NPC301477 |
0.7204 | Intermediate Similarity | NPC25684 |
0.72 | Intermediate Similarity | NPC477241 |
0.72 | Intermediate Similarity | NPC476267 |
0.72 | Intermediate Similarity | NPC121825 |
0.7191 | Intermediate Similarity | NPC474758 |
0.7188 | Intermediate Similarity | NPC469910 |
0.7188 | Intermediate Similarity | NPC311163 |
0.7188 | Intermediate Similarity | NPC284902 |
0.7188 | Intermediate Similarity | NPC107787 |
0.7184 | Intermediate Similarity | NPC288876 |
0.7174 | Intermediate Similarity | NPC19841 |
0.7174 | Intermediate Similarity | NPC471537 |
0.7174 | Intermediate Similarity | NPC617 |
0.7172 | Intermediate Similarity | NPC133698 |
0.717 | Intermediate Similarity | NPC81630 |
0.717 | Intermediate Similarity | NPC469852 |
0.7158 | Intermediate Similarity | NPC141193 |
0.7158 | Intermediate Similarity | NPC476804 |
0.7158 | Intermediate Similarity | NPC96259 |
0.7158 | Intermediate Similarity | NPC82297 |
0.7158 | Intermediate Similarity | NPC115786 |
0.7157 | Intermediate Similarity | NPC169205 |
0.7157 | Intermediate Similarity | NPC475709 |
0.7143 | Intermediate Similarity | NPC115179 |
0.7143 | Intermediate Similarity | NPC472755 |
0.7143 | Intermediate Similarity | NPC471225 |
0.7143 | Intermediate Similarity | NPC68156 |
0.7143 | Intermediate Similarity | NPC307092 |
0.7143 | Intermediate Similarity | NPC268298 |
0.7143 | Intermediate Similarity | NPC97516 |
0.7143 | Intermediate Similarity | NPC106040 |
0.7143 | Intermediate Similarity | NPC133450 |
0.7143 | Intermediate Similarity | NPC471938 |
0.7129 | Intermediate Similarity | NPC475659 |
0.7129 | Intermediate Similarity | NPC209355 |
0.7129 | Intermediate Similarity | NPC67584 |
0.7129 | Intermediate Similarity | NPC193645 |
0.7129 | Intermediate Similarity | NPC48803 |
0.7129 | Intermediate Similarity | NPC275960 |
0.7129 | Intermediate Similarity | NPC471142 |
0.7129 | Intermediate Similarity | NPC90121 |
0.7129 | Intermediate Similarity | NPC13924 |
0.7129 | Intermediate Similarity | NPC36954 |
0.7128 | Intermediate Similarity | NPC11383 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC32494 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 |
---|---|---|---|
0.7423 | Intermediate Similarity | NPD7838 | Discovery |
0.7129 | Intermediate Similarity | NPD1698 | Clinical (unspecified phase) |
0.7103 | Intermediate Similarity | NPD7899 | Clinical (unspecified phase) |
0.7087 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.6923 | Remote Similarity | NPD4225 | Approved |
0.6804 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6771 | Remote Similarity | NPD5209 | Approved |
0.6733 | Remote Similarity | NPD6698 | Approved |
0.6733 | Remote Similarity | NPD46 | Approved |
0.6701 | Remote Similarity | NPD7154 | Phase 3 |
0.6699 | Remote Similarity | NPD5282 | Discontinued |
0.6667 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6667 | Remote Similarity | NPD4249 | Approved |
0.6667 | Remote Similarity | NPD7983 | Approved |
0.66 | Remote Similarity | NPD4251 | Approved |
0.66 | Remote Similarity | NPD4250 | Approved |
0.6577 | Remote Similarity | NPD6686 | Approved |
0.6571 | Remote Similarity | NPD7839 | Suspended |
0.6569 | Remote Similarity | NPD5785 | Approved |
0.6566 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.6542 | Remote Similarity | NPD6648 | Approved |
0.6471 | Remote Similarity | NPD1695 | Approved |
0.646 | Remote Similarity | NPD6371 | Approved |
0.6442 | Remote Similarity | NPD5778 | Approved |
0.6442 | Remote Similarity | NPD5779 | Approved |
0.6429 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.64 | Remote Similarity | NPD5363 | Approved |
0.6392 | Remote Similarity | NPD4820 | Approved |
0.6392 | Remote Similarity | NPD4819 | Approved |
0.6392 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6392 | Remote Similarity | NPD4822 | Approved |
0.6392 | Remote Similarity | NPD4821 | Approved |
0.6348 | Remote Similarity | NPD6053 | Discontinued |
0.6346 | Remote Similarity | NPD7637 | Suspended |
0.6333 | Remote Similarity | NPD7503 | Approved |
0.633 | Remote Similarity | NPD5344 | Discontinued |
0.6311 | Remote Similarity | NPD6101 | Approved |
0.6311 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6261 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD4756 | Discovery |
0.6238 | Remote Similarity | NPD1733 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD5362 | Discontinued |
0.6198 | Remote Similarity | NPD8513 | Phase 3 |
0.6198 | Remote Similarity | NPD8515 | Approved |
0.6198 | Remote Similarity | NPD8516 | Approved |
0.6198 | Remote Similarity | NPD8517 | Approved |
0.619 | Remote Similarity | NPD6411 | Approved |
0.6186 | Remote Similarity | NPD4268 | Approved |
0.6186 | Remote Similarity | NPD4271 | Approved |
0.6162 | Remote Similarity | NPD5369 | Approved |
0.6134 | Remote Similarity | NPD7505 | Discontinued |
0.61 | Remote Similarity | NPD4269 | Approved |
0.61 | Remote Similarity | NPD4270 | Approved |
0.6083 | Remote Similarity | NPD7327 | Approved |
0.6083 | Remote Similarity | NPD7328 | Approved |
0.6078 | Remote Similarity | NPD1694 | Approved |
0.6066 | Remote Similarity | NPD8033 | Approved |
0.604 | Remote Similarity | NPD5332 | Approved |
0.604 | Remote Similarity | NPD5331 | Approved |
0.6033 | Remote Similarity | NPD7516 | Approved |
0.6019 | Remote Similarity | NPD5786 | Approved |
0.6 | Remote Similarity | NPD7115 | Discovery |
0.6 | Remote Similarity | NPD4790 | Discontinued |
0.6 | Remote Similarity | NPD7638 | Approved |
0.5984 | Remote Similarity | NPD8377 | Approved |
0.5984 | Remote Similarity | NPD7319 | Approved |
0.5984 | Remote Similarity | NPD8294 | Approved |
0.598 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5968 | Remote Similarity | NPD7829 | Approved |
0.5968 | Remote Similarity | NPD7830 | Approved |
0.5952 | Remote Similarity | NPD8074 | Phase 3 |
0.5946 | Remote Similarity | NPD7639 | Approved |
0.5946 | Remote Similarity | NPD7640 | Approved |
0.5941 | Remote Similarity | NPD6435 | Approved |
0.5935 | Remote Similarity | NPD8380 | Approved |
0.5935 | Remote Similarity | NPD8379 | Approved |
0.5935 | Remote Similarity | NPD8296 | Approved |
0.5935 | Remote Similarity | NPD8335 | Approved |
0.5935 | Remote Similarity | NPD8378 | Approved |
0.5909 | Remote Similarity | NPD7966 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4252 | Approved |
0.5882 | Remote Similarity | NPD6695 | Phase 3 |
0.5876 | Remote Similarity | NPD8039 | Approved |
0.5873 | Remote Similarity | NPD7507 | Approved |
0.5868 | Remote Similarity | NPD7500 | Approved |
0.5826 | Remote Similarity | NPD4211 | Phase 1 |
0.5798 | Remote Similarity | NPD6882 | Approved |
0.5798 | Remote Similarity | NPD969 | Suspended |
0.5763 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD2067 | Discontinued |
0.5748 | Remote Similarity | NPD8451 | Approved |
0.5743 | Remote Similarity | NPD5368 | Approved |
0.5727 | Remote Similarity | NPD5695 | Phase 3 |
0.5714 | Remote Similarity | NPD2204 | Approved |
0.5714 | Remote Similarity | NPD7116 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD7642 | Approved |
0.5703 | Remote Similarity | NPD8448 | Approved |
0.5701 | Remote Similarity | NPD6051 | Approved |
0.5701 | Remote Similarity | NPD5370 | Suspended |
0.57 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5688 | Remote Similarity | NPD6399 | Phase 3 |
0.568 | Remote Similarity | NPD8444 | Approved |
0.5678 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5669 | Remote Similarity | NPD7492 | Approved |
0.566 | Remote Similarity | NPD7524 | Approved |
0.566 | Remote Similarity | NPD7750 | Discontinued |
0.5652 | Remote Similarity | NPD6647 | Phase 2 |
0.5652 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD5697 | Approved |
0.5635 | Remote Similarity | NPD8080 | Discontinued |
0.5625 | Remote Similarity | NPD6083 | Phase 2 |
0.5625 | Remote Similarity | NPD6616 | Approved |
0.5625 | Remote Similarity | NPD8273 | Phase 1 |
0.5625 | Remote Similarity | NPD6084 | Phase 2 |
0.5612 | Remote Similarity | NPD6924 | Approved |
0.5612 | Remote Similarity | NPD6926 | Approved |
0.561 | Remote Similarity | NPD8137 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD7299 | Clinical (unspecified phase) |
0.56 | Remote Similarity | NPD6054 | Approved |
PubChem CID   | 70686496 |
ChEMBL   | CHEMBL2062866 |
ZINC   |
Molecular Weight:   | 406.16 |
ALogP:   | 0.8661 |
MLogP:   | 2.89 |
XLogP:   | 1.794 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 108.36 |
# H-Bond Aceptor:   | 8 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 29 |