Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT180 | Cell Line | HCT-8 | Homo sapiens | IC50 | > | 10000 | nM | 19223615 |
NPT181 | Cell Line | Bel-7402 | Homo sapiens | IC50 | > | 10000 | nM | 19223615 |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 10617080 | |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 20055477 |
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 NPC96399 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 | NPC117066 |
1.0 | High Similarity | NPC469918 |
1.0 | High Similarity | NPC469919 |
0.9783 | High Similarity | NPC223700 |
0.8544 | High Similarity | NPC208307 |
0.8 | Intermediate Similarity | NPC284063 |
0.7959 | Intermediate Similarity | NPC235051 |
0.7921 | Intermediate Similarity | NPC86843 |
0.78 | Intermediate Similarity | NPC274588 |
0.7767 | Intermediate Similarity | NPC476211 |
0.7767 | Intermediate Similarity | NPC476320 |
0.7723 | Intermediate Similarity | NPC6765 |
0.7723 | Intermediate Similarity | NPC93869 |
0.7692 | Intermediate Similarity | NPC216911 |
0.7692 | Intermediate Similarity | NPC476230 |
0.7692 | Intermediate Similarity | NPC27474 |
0.7692 | Intermediate Similarity | NPC476228 |
0.7647 | Intermediate Similarity | NPC170527 |
0.7547 | Intermediate Similarity | NPC329834 |
0.7547 | Intermediate Similarity | NPC329704 |
0.7426 | Intermediate Similarity | NPC473150 |
0.7426 | Intermediate Similarity | NPC294643 |
0.7426 | Intermediate Similarity | NPC274274 |
0.7426 | Intermediate Similarity | NPC66504 |
0.74 | Intermediate Similarity | NPC93190 |
0.7383 | Intermediate Similarity | NPC37240 |
0.7353 | Intermediate Similarity | NPC470187 |
0.7339 | Intermediate Similarity | NPC148270 |
0.7339 | Intermediate Similarity | NPC197813 |
0.7339 | Intermediate Similarity | NPC80338 |
0.7297 | Intermediate Similarity | NPC193741 |
0.729 | Intermediate Similarity | NPC177013 |
0.729 | Intermediate Similarity | NPC35185 |
0.729 | Intermediate Similarity | NPC4899 |
0.729 | Intermediate Similarity | NPC474730 |
0.7273 | Intermediate Similarity | NPC110701 |
0.7273 | Intermediate Similarity | NPC68248 |
0.7257 | Intermediate Similarity | NPC273242 |
0.7248 | Intermediate Similarity | NPC127235 |
0.7248 | Intermediate Similarity | NPC170432 |
0.7228 | Intermediate Similarity | NPC50464 |
0.7222 | Intermediate Similarity | NPC475928 |
0.7207 | Intermediate Similarity | NPC115352 |
0.7196 | Intermediate Similarity | NPC3488 |
0.7196 | Intermediate Similarity | NPC287539 |
0.7193 | Intermediate Similarity | NPC121816 |
0.7168 | Intermediate Similarity | NPC475851 |
0.7168 | Intermediate Similarity | NPC475924 |
0.71 | Intermediate Similarity | NPC171484 |
0.71 | Intermediate Similarity | NPC149018 |
0.7075 | Intermediate Similarity | NPC182811 |
0.7075 | Intermediate Similarity | NPC304445 |
0.7075 | Intermediate Similarity | NPC236580 |
0.7059 | Intermediate Similarity | NPC299527 |
0.7048 | Intermediate Similarity | NPC240838 |
0.7037 | Intermediate Similarity | NPC67296 |
0.7027 | Intermediate Similarity | NPC470166 |
0.7019 | Intermediate Similarity | NPC474835 |
0.7009 | Intermediate Similarity | NPC274458 |
0.699 | Remote Similarity | NPC246173 |
0.699 | Remote Similarity | NPC471184 |
0.6989 | Remote Similarity | NPC470659 |
0.6989 | Remote Similarity | NPC470660 |
0.6983 | Remote Similarity | NPC255450 |
0.6983 | Remote Similarity | NPC170692 |
0.6981 | Remote Similarity | NPC474297 |
0.6972 | Remote Similarity | NPC106668 |
0.6961 | Remote Similarity | NPC148534 |
0.6947 | Remote Similarity | NPC279575 |
0.6944 | Remote Similarity | NPC130792 |
0.6916 | Remote Similarity | NPC476057 |
0.6916 | Remote Similarity | NPC261372 |
0.6916 | Remote Similarity | NPC58267 |
0.6916 | Remote Similarity | NPC347923 |
0.6916 | Remote Similarity | NPC263674 |
0.6909 | Remote Similarity | NPC27687 |
0.6907 | Remote Similarity | NPC170595 |
0.69 | Remote Similarity | NPC259296 |
0.69 | Remote Similarity | NPC98276 |
0.6893 | Remote Similarity | NPC22918 |
0.6881 | Remote Similarity | NPC144486 |
0.6875 | Remote Similarity | NPC470170 |
0.6875 | Remote Similarity | NPC470169 |
0.6863 | Remote Similarity | NPC258501 |
0.6863 | Remote Similarity | NPC31349 |
0.6852 | Remote Similarity | NPC249171 |
0.6852 | Remote Similarity | NPC469725 |
0.6852 | Remote Similarity | NPC79449 |
0.6852 | Remote Similarity | NPC49833 |
0.6852 | Remote Similarity | NPC474957 |
0.6837 | Remote Similarity | NPC80622 |
0.6833 | Remote Similarity | NPC40749 |
0.6827 | Remote Similarity | NPC202886 |
0.6822 | Remote Similarity | NPC98165 |
0.6818 | Remote Similarity | NPC200672 |
0.6818 | Remote Similarity | NPC214714 |
0.6818 | Remote Similarity | NPC177701 |
0.6818 | Remote Similarity | NPC80144 |
0.6818 | Remote Similarity | NPC304163 |
0.6814 | Remote Similarity | NPC473517 |
0.681 | Remote Similarity | NPC287075 |
0.6807 | Remote Similarity | NPC219656 |
0.6807 | Remote Similarity | NPC291820 |
0.6807 | Remote Similarity | NPC81222 |
0.6789 | Remote Similarity | NPC91497 |
0.6789 | Remote Similarity | NPC79631 |
0.6786 | Remote Similarity | NPC85670 |
0.6765 | Remote Similarity | NPC470657 |
0.6762 | Remote Similarity | NPC276298 |
0.6759 | Remote Similarity | NPC155319 |
0.6759 | Remote Similarity | NPC125551 |
0.6759 | Remote Similarity | NPC91197 |
0.6759 | Remote Similarity | NPC239547 |
0.6759 | Remote Similarity | NPC472290 |
0.6759 | Remote Similarity | NPC181151 |
0.6759 | Remote Similarity | NPC470684 |
0.6759 | Remote Similarity | NPC470683 |
0.6759 | Remote Similarity | NPC474182 |
0.6759 | Remote Similarity | NPC96597 |
0.6759 | Remote Similarity | NPC309503 |
0.6757 | Remote Similarity | NPC473148 |
0.6754 | Remote Similarity | NPC473570 |
0.6752 | Remote Similarity | NPC471633 |
0.6752 | Remote Similarity | NPC69576 |
0.6752 | Remote Similarity | NPC31354 |
0.6752 | Remote Similarity | NPC84949 |
0.675 | Remote Similarity | NPC107607 |
0.6733 | Remote Similarity | NPC116613 |
0.6731 | Remote Similarity | NPC477748 |
0.6729 | Remote Similarity | NPC167893 |
0.6729 | Remote Similarity | NPC472873 |
0.6727 | Remote Similarity | NPC26557 |
0.6727 | Remote Similarity | NPC470168 |
0.6727 | Remote Similarity | NPC20673 |
0.6724 | Remote Similarity | NPC258711 |
0.6724 | Remote Similarity | NPC95290 |
0.6724 | Remote Similarity | NPC35069 |
0.6724 | Remote Similarity | NPC189338 |
0.6723 | Remote Similarity | NPC160888 |
0.6723 | Remote Similarity | NPC475403 |
0.6723 | Remote Similarity | NPC218093 |
0.6721 | Remote Similarity | NPC219804 |
0.6698 | Remote Similarity | NPC258216 |
0.6697 | Remote Similarity | NPC151093 |
0.6697 | Remote Similarity | NPC45125 |
0.6695 | Remote Similarity | NPC99620 |
0.6695 | Remote Similarity | NPC310341 |
0.6695 | Remote Similarity | NPC199428 |
0.6695 | Remote Similarity | NPC5311 |
0.6695 | Remote Similarity | NPC193382 |
0.6694 | Remote Similarity | NPC231518 |
0.6694 | Remote Similarity | NPC233500 |
0.6694 | Remote Similarity | NPC475219 |
0.6667 | Remote Similarity | NPC252242 |
0.6667 | Remote Similarity | NPC473633 |
0.6667 | Remote Similarity | NPC31085 |
0.6667 | Remote Similarity | NPC161293 |
0.6667 | Remote Similarity | NPC197107 |
0.6667 | Remote Similarity | NPC292467 |
0.6667 | Remote Similarity | NPC475986 |
0.6667 | Remote Similarity | NPC5883 |
0.6667 | Remote Similarity | NPC470897 |
0.6667 | Remote Similarity | NPC216284 |
0.6667 | Remote Similarity | NPC469756 |
0.6667 | Remote Similarity | NPC32177 |
0.6667 | Remote Similarity | NPC475956 |
0.6667 | Remote Similarity | NPC295980 |
0.6667 | Remote Similarity | NPC329905 |
0.6667 | Remote Similarity | NPC55532 |
0.6667 | Remote Similarity | NPC236973 |
0.6667 | Remote Similarity | NPC44899 |
0.6667 | Remote Similarity | NPC304260 |
0.6667 | Remote Similarity | NPC476085 |
0.6667 | Remote Similarity | NPC30483 |
0.6667 | Remote Similarity | NPC29639 |
0.6639 | Remote Similarity | NPC157376 |
0.6639 | Remote Similarity | NPC34390 |
0.6639 | Remote Similarity | NPC474418 |
0.6639 | Remote Similarity | NPC309034 |
0.6639 | Remote Similarity | NPC99728 |
0.6639 | Remote Similarity | NPC473852 |
0.6639 | Remote Similarity | NPC471351 |
0.6639 | Remote Similarity | NPC244402 |
0.6639 | Remote Similarity | NPC193893 |
0.6639 | Remote Similarity | NPC152615 |
0.6639 | Remote Similarity | NPC50305 |
0.6639 | Remote Similarity | NPC196429 |
0.6639 | Remote Similarity | NPC471353 |
0.6639 | Remote Similarity | NPC471354 |
0.6639 | Remote Similarity | NPC243196 |
0.6639 | Remote Similarity | NPC471355 |
0.6639 | Remote Similarity | NPC203862 |
0.6639 | Remote Similarity | NPC77319 |
0.6639 | Remote Similarity | NPC290693 |
0.6639 | Remote Similarity | NPC158344 |
0.6639 | Remote Similarity | NPC84987 |
0.6639 | Remote Similarity | NPC196130 |
0.6639 | Remote Similarity | NPC93883 |
0.6639 | Remote Similarity | NPC27507 |
0.6639 | Remote Similarity | NPC87250 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC96399 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 |
---|---|---|---|
0.6694 | Remote Similarity | NPD8033 | Approved |
0.6667 | Remote Similarity | NPD8133 | Approved |
0.6612 | Remote Similarity | NPD8377 | Approved |
0.6612 | Remote Similarity | NPD8294 | Approved |
0.6583 | Remote Similarity | NPD7327 | Approved |
0.6583 | Remote Similarity | NPD7328 | Approved |
0.6557 | Remote Similarity | NPD8335 | Approved |
0.6557 | Remote Similarity | NPD8379 | Approved |
0.6557 | Remote Similarity | NPD8296 | Approved |
0.6557 | Remote Similarity | NPD8378 | Approved |
0.6557 | Remote Similarity | NPD8380 | Approved |
0.6529 | Remote Similarity | NPD7516 | Approved |
0.6423 | Remote Similarity | NPD7503 | Approved |
0.6364 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD8029 | Clinical (unspecified phase) |
0.6239 | Remote Similarity | NPD6686 | Approved |
0.622 | Remote Similarity | NPD7507 | Approved |
0.6154 | Remote Similarity | NPD6412 | Phase 2 |
0.6083 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6077 | Remote Similarity | NPD7319 | Approved |
0.6031 | Remote Similarity | NPD5956 | Approved |
0.6 | Remote Similarity | NPD6033 | Approved |
0.5981 | Remote Similarity | NPD4249 | Approved |
0.5968 | Remote Similarity | NPD6009 | Approved |
0.5926 | Remote Similarity | NPD4250 | Approved |
0.5926 | Remote Similarity | NPD4251 | Approved |
0.5906 | Remote Similarity | NPD8517 | Approved |
0.5906 | Remote Similarity | NPD8513 | Phase 3 |
0.5906 | Remote Similarity | NPD5983 | Phase 2 |
0.5906 | Remote Similarity | NPD8516 | Approved |
0.5906 | Remote Similarity | NPD8515 | Approved |
0.5902 | Remote Similarity | NPD6053 | Discontinued |
0.5888 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5865 | Remote Similarity | NPD4820 | Approved |
0.5865 | Remote Similarity | NPD4822 | Approved |
0.5865 | Remote Similarity | NPD4821 | Approved |
0.5865 | Remote Similarity | NPD4819 | Approved |
0.5865 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD8293 | Discontinued |
0.5794 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.578 | Remote Similarity | NPD7524 | Approved |
0.5776 | Remote Similarity | NPD7639 | Approved |
0.5776 | Remote Similarity | NPD7640 | Approved |
0.5766 | Remote Similarity | NPD6698 | Approved |
0.5766 | Remote Similarity | NPD46 | Approved |
0.5758 | Remote Similarity | NPD7736 | Approved |
0.575 | Remote Similarity | NPD7899 | Clinical (unspecified phase) |
0.5738 | Remote Similarity | NPD6371 | Approved |
0.5736 | Remote Similarity | NPD6370 | Approved |
0.5726 | Remote Similarity | NPD5344 | Discontinued |
0.5726 | Remote Similarity | NPD4632 | Approved |
0.5725 | Remote Similarity | NPD6336 | Discontinued |
0.5701 | Remote Similarity | NPD3669 | Approved |
0.5701 | Remote Similarity | NPD6695 | Phase 3 |
0.5701 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD7638 | Approved |
0.5676 | Remote Similarity | NPD1695 | Approved |
0.5676 | Remote Similarity | NPD6051 | Approved |
0.5673 | Remote Similarity | NPD4271 | Approved |
0.5673 | Remote Similarity | NPD4268 | Approved |
0.5664 | Remote Similarity | NPD8171 | Discontinued |
0.5649 | Remote Similarity | NPD7492 | Approved |
0.5648 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.5641 | Remote Similarity | NPD6648 | Approved |
0.5625 | Remote Similarity | NPD7100 | Approved |
0.5625 | Remote Similarity | NPD7838 | Discovery |
0.5607 | Remote Similarity | NPD6435 | Approved |
0.5606 | Remote Similarity | NPD6616 | Approved |
PubChem CID   | 49831713 |
ChEMBL   | CHEMBL1270551 |
ZINC   |
Molecular Weight:   | 318.09 |
ALogP:   | 0.2104 |
MLogP:   | 2.23 |
XLogP:   | 0.52 |
# Rotatable Bonds:   | 9 |
Polar Surface Area:   | 74.22 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 1 |
# Rings:   | 1 |
# Heavy Atoms:   | 21 |