Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | > | 20 | ug/ml | 8411013 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 20 | ug/ml | Open TG-GATES in vivo data: Organ Weight |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 12.72 | ug/ml | 24389510 |
NPT2 | Others | Unspecified | IC50 | = | 91000 | nM | 10579870 |
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 NPC21897 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 |
---|---|---|
0.967 | High Similarity | NPC292775 |
0.9333 | High Similarity | NPC122083 |
0.9333 | High Similarity | NPC211845 |
0.9333 | High Similarity | NPC256104 |
0.9333 | High Similarity | NPC182740 |
0.9333 | High Similarity | NPC35164 |
0.9032 | High Similarity | NPC145553 |
0.8989 | High Similarity | NPC210658 |
0.8989 | High Similarity | NPC161928 |
0.8958 | High Similarity | NPC244969 |
0.8958 | High Similarity | NPC213528 |
0.8889 | High Similarity | NPC128475 |
0.8776 | High Similarity | NPC100078 |
0.875 | High Similarity | NPC470030 |
0.8687 | High Similarity | NPC306776 |
0.8687 | High Similarity | NPC166079 |
0.866 | High Similarity | NPC476512 |
0.866 | High Similarity | NPC108227 |
0.866 | High Similarity | NPC472081 |
0.866 | High Similarity | NPC475574 |
0.8652 | High Similarity | NPC18953 |
0.8636 | High Similarity | NPC470611 |
0.8632 | High Similarity | NPC203434 |
0.8632 | High Similarity | NPC238796 |
0.8632 | High Similarity | NPC237071 |
0.8632 | High Similarity | NPC156377 |
0.8602 | High Similarity | NPC59006 |
0.8587 | High Similarity | NPC20822 |
0.8571 | High Similarity | NPC310138 |
0.8571 | High Similarity | NPC114700 |
0.8571 | High Similarity | NPC134967 |
0.8571 | High Similarity | NPC470029 |
0.8511 | High Similarity | NPC311246 |
0.8511 | High Similarity | NPC167644 |
0.8495 | Intermediate Similarity | NPC473542 |
0.8485 | Intermediate Similarity | NPC97260 |
0.8485 | Intermediate Similarity | NPC476837 |
0.8485 | Intermediate Similarity | NPC139181 |
0.8478 | Intermediate Similarity | NPC470872 |
0.8462 | Intermediate Similarity | NPC471411 |
0.8462 | Intermediate Similarity | NPC471410 |
0.8462 | Intermediate Similarity | NPC155531 |
0.8462 | Intermediate Similarity | NPC215968 |
0.8438 | Intermediate Similarity | NPC296936 |
0.8421 | Intermediate Similarity | NPC45959 |
0.8421 | Intermediate Similarity | NPC3538 |
0.8421 | Intermediate Similarity | NPC175 |
0.8421 | Intermediate Similarity | NPC113500 |
0.8421 | Intermediate Similarity | NPC252253 |
0.8421 | Intermediate Similarity | NPC151214 |
0.8421 | Intermediate Similarity | NPC30687 |
0.8421 | Intermediate Similarity | NPC191915 |
0.8421 | Intermediate Similarity | NPC477224 |
0.8409 | Intermediate Similarity | NPC471216 |
0.8409 | Intermediate Similarity | NPC471217 |
0.8404 | Intermediate Similarity | NPC149966 |
0.8404 | Intermediate Similarity | NPC5632 |
0.8404 | Intermediate Similarity | NPC473066 |
0.8387 | Intermediate Similarity | NPC82955 |
0.837 | Intermediate Similarity | NPC110365 |
0.837 | Intermediate Similarity | NPC45833 |
0.837 | Intermediate Similarity | NPC62202 |
0.837 | Intermediate Similarity | NPC213658 |
0.8352 | Intermediate Similarity | NPC266651 |
0.8352 | Intermediate Similarity | NPC235402 |
0.8352 | Intermediate Similarity | NPC290612 |
0.8351 | Intermediate Similarity | NPC470591 |
0.8333 | Intermediate Similarity | NPC473064 |
0.8333 | Intermediate Similarity | NPC474346 |
0.8333 | Intermediate Similarity | NPC57964 |
0.8333 | Intermediate Similarity | NPC213737 |
0.8333 | Intermediate Similarity | NPC477285 |
0.8333 | Intermediate Similarity | NPC474284 |
0.8333 | Intermediate Similarity | NPC474253 |
0.8333 | Intermediate Similarity | NPC111582 |
0.8333 | Intermediate Similarity | NPC473065 |
0.8333 | Intermediate Similarity | NPC94582 |
0.8333 | Intermediate Similarity | NPC473067 |
0.8333 | Intermediate Similarity | NPC475820 |
0.8316 | Intermediate Similarity | NPC88962 |
0.8316 | Intermediate Similarity | NPC144790 |
0.8316 | Intermediate Similarity | NPC149400 |
0.8315 | Intermediate Similarity | NPC71541 |
0.8298 | Intermediate Similarity | NPC279329 |
0.8295 | Intermediate Similarity | NPC476176 |
0.8283 | Intermediate Similarity | NPC477225 |
0.8283 | Intermediate Similarity | NPC476838 |
0.8283 | Intermediate Similarity | NPC476839 |
0.828 | Intermediate Similarity | NPC281004 |
0.8261 | Intermediate Similarity | NPC477283 |
0.8247 | Intermediate Similarity | NPC252056 |
0.8247 | Intermediate Similarity | NPC304011 |
0.8247 | Intermediate Similarity | NPC476510 |
0.8247 | Intermediate Similarity | NPC142264 |
0.8247 | Intermediate Similarity | NPC139271 |
0.8229 | Intermediate Similarity | NPC473851 |
0.8229 | Intermediate Similarity | NPC179859 |
0.8229 | Intermediate Similarity | NPC291547 |
0.8229 | Intermediate Similarity | NPC24960 |
0.8229 | Intermediate Similarity | NPC475436 |
0.8229 | Intermediate Similarity | NPC473774 |
0.8229 | Intermediate Similarity | NPC253268 |
0.8229 | Intermediate Similarity | NPC131693 |
0.8229 | Intermediate Similarity | NPC174024 |
0.8229 | Intermediate Similarity | NPC312678 |
0.8222 | Intermediate Similarity | NPC477286 |
0.8222 | Intermediate Similarity | NPC208912 |
0.8222 | Intermediate Similarity | NPC286719 |
0.8222 | Intermediate Similarity | NPC2096 |
0.8222 | Intermediate Similarity | NPC296734 |
0.8211 | Intermediate Similarity | NPC210759 |
0.8211 | Intermediate Similarity | NPC307167 |
0.8211 | Intermediate Similarity | NPC229801 |
0.8211 | Intermediate Similarity | NPC36372 |
0.8211 | Intermediate Similarity | NPC293609 |
0.8191 | Intermediate Similarity | NPC473472 |
0.8191 | Intermediate Similarity | NPC102725 |
0.8191 | Intermediate Similarity | NPC228059 |
0.8182 | Intermediate Similarity | NPC471045 |
0.8172 | Intermediate Similarity | NPC472396 |
0.8172 | Intermediate Similarity | NPC43912 |
0.8172 | Intermediate Similarity | NPC140446 |
0.8163 | Intermediate Similarity | NPC477223 |
0.8163 | Intermediate Similarity | NPC233649 |
0.8163 | Intermediate Similarity | NPC477222 |
0.8163 | Intermediate Similarity | NPC210157 |
0.8163 | Intermediate Similarity | NPC470028 |
0.8152 | Intermediate Similarity | NPC232044 |
0.8152 | Intermediate Similarity | NPC273290 |
0.8144 | Intermediate Similarity | NPC474399 |
0.8144 | Intermediate Similarity | NPC215570 |
0.8132 | Intermediate Similarity | NPC470070 |
0.8125 | Intermediate Similarity | NPC249204 |
0.8125 | Intermediate Similarity | NPC234352 |
0.8125 | Intermediate Similarity | NPC472231 |
0.8125 | Intermediate Similarity | NPC475307 |
0.8125 | Intermediate Similarity | NPC297348 |
0.8125 | Intermediate Similarity | NPC277774 |
0.8125 | Intermediate Similarity | NPC477451 |
0.8125 | Intermediate Similarity | NPC472232 |
0.8125 | Intermediate Similarity | NPC250393 |
0.8125 | Intermediate Similarity | NPC177834 |
0.8125 | Intermediate Similarity | NPC325828 |
0.8125 | Intermediate Similarity | NPC477547 |
0.8125 | Intermediate Similarity | NPC141769 |
0.8125 | Intermediate Similarity | NPC48339 |
0.8111 | Intermediate Similarity | NPC190940 |
0.8105 | Intermediate Similarity | NPC65550 |
0.8105 | Intermediate Similarity | NPC223143 |
0.809 | Intermediate Similarity | NPC477287 |
0.8081 | Intermediate Similarity | NPC473638 |
0.8061 | Intermediate Similarity | NPC475765 |
0.8061 | Intermediate Similarity | NPC121453 |
0.8061 | Intermediate Similarity | NPC475785 |
0.8061 | Intermediate Similarity | NPC116683 |
0.8061 | Intermediate Similarity | NPC476728 |
0.8043 | Intermediate Similarity | NPC227260 |
0.8043 | Intermediate Similarity | NPC474156 |
0.8041 | Intermediate Similarity | NPC217205 |
0.8041 | Intermediate Similarity | NPC222731 |
0.8041 | Intermediate Similarity | NPC473503 |
0.8041 | Intermediate Similarity | NPC471464 |
0.8041 | Intermediate Similarity | NPC291203 |
0.8041 | Intermediate Similarity | NPC309866 |
0.8041 | Intermediate Similarity | NPC305418 |
0.8041 | Intermediate Similarity | NPC294686 |
0.8041 | Intermediate Similarity | NPC264101 |
0.8037 | Intermediate Similarity | NPC79193 |
0.8022 | Intermediate Similarity | NPC475388 |
0.8022 | Intermediate Similarity | NPC154043 |
0.8022 | Intermediate Similarity | NPC60018 |
0.8022 | Intermediate Similarity | NPC202688 |
0.8022 | Intermediate Similarity | NPC477284 |
0.8021 | Intermediate Similarity | NPC475878 |
0.8021 | Intermediate Similarity | NPC473637 |
0.8021 | Intermediate Similarity | NPC476668 |
0.8021 | Intermediate Similarity | NPC204881 |
0.8021 | Intermediate Similarity | NPC473830 |
0.8 | Intermediate Similarity | NPC7479 |
0.8 | Intermediate Similarity | NPC474714 |
0.8 | Intermediate Similarity | NPC257296 |
0.8 | Intermediate Similarity | NPC131466 |
0.8 | Intermediate Similarity | NPC248944 |
0.798 | Intermediate Similarity | NPC476112 |
0.798 | Intermediate Similarity | NPC274200 |
0.798 | Intermediate Similarity | NPC475207 |
0.798 | Intermediate Similarity | NPC307534 |
0.798 | Intermediate Similarity | NPC472273 |
0.7979 | Intermediate Similarity | NPC5943 |
0.7959 | Intermediate Similarity | NPC6295 |
0.7959 | Intermediate Similarity | NPC107962 |
0.7959 | Intermediate Similarity | NPC475351 |
0.7959 | Intermediate Similarity | NPC473610 |
0.7959 | Intermediate Similarity | NPC19400 |
0.7959 | Intermediate Similarity | NPC473727 |
0.7959 | Intermediate Similarity | NPC92196 |
0.7959 | Intermediate Similarity | NPC206003 |
0.7959 | Intermediate Similarity | NPC211354 |
0.7959 | Intermediate Similarity | NPC107188 |
0.7959 | Intermediate Similarity | NPC469710 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC21897 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 |
---|---|---|---|
0.8125 | Intermediate Similarity | NPD8171 | Discontinued |
0.8 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7692 | Intermediate Similarity | NPD8170 | Clinical (unspecified phase) |
0.7345 | Intermediate Similarity | NPD7328 | Approved |
0.7345 | Intermediate Similarity | NPD7327 | Approved |
0.7281 | Intermediate Similarity | NPD7516 | Approved |
0.7217 | Intermediate Similarity | NPD8377 | Approved |
0.7217 | Intermediate Similarity | NPD8294 | Approved |
0.7204 | Intermediate Similarity | NPD6697 | Approved |
0.7204 | Intermediate Similarity | NPD6118 | Approved |
0.7204 | Intermediate Similarity | NPD6115 | Approved |
0.7204 | Intermediate Similarity | NPD6114 | Approved |
0.7155 | Intermediate Similarity | NPD8380 | Approved |
0.7155 | Intermediate Similarity | NPD8335 | Approved |
0.7155 | Intermediate Similarity | NPD8379 | Approved |
0.7155 | Intermediate Similarity | NPD8296 | Approved |
0.7155 | Intermediate Similarity | NPD8378 | Approved |
0.7155 | Intermediate Similarity | NPD8033 | Approved |
0.7097 | Intermediate Similarity | NPD6116 | Phase 1 |
0.7079 | Intermediate Similarity | NPD4267 | Clinical (unspecified phase) |
0.6991 | Remote Similarity | NPD8133 | Approved |
0.6989 | Remote Similarity | NPD6117 | Approved |
0.6942 | Remote Similarity | NPD7736 | Approved |
0.6923 | Remote Similarity | NPD7991 | Discontinued |
0.6917 | Remote Similarity | NPD7507 | Approved |
0.6916 | Remote Similarity | NPD1700 | Approved |
0.6881 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.6881 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.686 | Remote Similarity | NPD8293 | Discontinued |
0.6837 | Remote Similarity | NPD3669 | Approved |
0.6837 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6807 | Remote Similarity | NPD6370 | Approved |
0.6774 | Remote Similarity | NPD1810 | Approved |
0.6774 | Remote Similarity | NPD1811 | Approved |
0.6774 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.6748 | Remote Similarity | NPD7319 | Approved |
0.6724 | Remote Similarity | NPD6940 | Discontinued |
0.6723 | Remote Similarity | NPD7503 | Approved |
0.6721 | Remote Similarity | NPD7078 | Approved |
0.6694 | Remote Similarity | NPD7492 | Approved |
0.6639 | Remote Similarity | NPD6059 | Approved |
0.6639 | Remote Similarity | NPD6054 | Approved |
0.6639 | Remote Similarity | NPD6616 | Approved |
0.663 | Remote Similarity | NPD4787 | Phase 1 |
0.6607 | Remote Similarity | NPD6412 | Phase 2 |
0.6526 | Remote Similarity | NPD3702 | Approved |
0.6491 | Remote Similarity | NPD8132 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD2686 | Approved |
0.6452 | Remote Similarity | NPD2687 | Approved |
0.6452 | Remote Similarity | NPD2254 | Approved |
0.6446 | Remote Similarity | NPD6016 | Approved |
0.6446 | Remote Similarity | NPD6015 | Approved |
0.6422 | Remote Similarity | NPD7638 | Approved |
0.6393 | Remote Similarity | NPD5988 | Approved |
0.6387 | Remote Similarity | NPD6009 | Approved |
0.6383 | Remote Similarity | NPD5777 | Approved |
0.6383 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.6383 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD7640 | Approved |
0.6364 | Remote Similarity | NPD7639 | Approved |
0.6354 | Remote Similarity | NPD3703 | Phase 2 |
0.6341 | Remote Similarity | NPD6067 | Discontinued |
0.6325 | Remote Similarity | NPD6882 | Approved |
0.6321 | Remote Similarity | NPD8034 | Phase 2 |
0.6321 | Remote Similarity | NPD8035 | Phase 2 |
0.63 | Remote Similarity | NPD1779 | Approved |
0.63 | Remote Similarity | NPD1780 | Approved |
0.6277 | Remote Similarity | NPD4244 | Approved |
0.6277 | Remote Similarity | NPD4245 | Approved |
0.6261 | Remote Similarity | NPD7320 | Approved |
0.625 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD7632 | Discontinued |
0.6228 | Remote Similarity | NPD5739 | Approved |
0.6228 | Remote Similarity | NPD6675 | Approved |
0.6228 | Remote Similarity | NPD6402 | Approved |
0.6228 | Remote Similarity | NPD7128 | Approved |
0.6214 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD7525 | Registered |
0.6186 | Remote Similarity | NPD8297 | Approved |
0.617 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD3698 | Phase 2 |
0.6142 | Remote Similarity | NPD6033 | Approved |
0.6134 | Remote Similarity | NPD4632 | Approved |
0.6121 | Remote Similarity | NPD6899 | Approved |
0.6121 | Remote Similarity | NPD6881 | Approved |
0.6121 | Remote Similarity | NPD6686 | Approved |
0.6098 | Remote Similarity | NPD6319 | Approved |
0.6087 | Remote Similarity | NPD6008 | Approved |
0.6068 | Remote Similarity | NPD6372 | Approved |
0.6068 | Remote Similarity | NPD6373 | Approved |
0.6064 | Remote Similarity | NPD5360 | Phase 3 |
0.6064 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.6042 | Remote Similarity | NPD6081 | Approved |
0.6034 | Remote Similarity | NPD5701 | Approved |
0.6034 | Remote Similarity | NPD5697 | Approved |
0.6017 | Remote Similarity | NPD7102 | Approved |
0.6017 | Remote Similarity | NPD7290 | Approved |
0.6017 | Remote Similarity | NPD6883 | Approved |
0.5983 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.5978 | Remote Similarity | NPD371 | Approved |
0.5971 | Remote Similarity | NPD7625 | Phase 1 |
0.5966 | Remote Similarity | NPD6617 | Approved |
0.5966 | Remote Similarity | NPD6650 | Approved |
0.5966 | Remote Similarity | NPD6847 | Approved |
0.5966 | Remote Similarity | NPD6649 | Approved |
0.5966 | Remote Similarity | NPD6869 | Approved |
0.5966 | Remote Similarity | NPD8130 | Phase 1 |
0.5952 | Remote Similarity | NPD7604 | Phase 2 |
0.5952 | Remote Similarity | NPD8328 | Phase 3 |
0.5938 | Remote Similarity | NPD4789 | Approved |
0.5932 | Remote Similarity | NPD6013 | Approved |
0.5932 | Remote Similarity | NPD6014 | Approved |
0.5932 | Remote Similarity | NPD6012 | Approved |
0.5932 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.5929 | Remote Similarity | NPD8418 | Phase 2 |
0.592 | Remote Similarity | NPD5983 | Phase 2 |
0.5893 | Remote Similarity | NPD6083 | Phase 2 |
0.5893 | Remote Similarity | NPD6084 | Phase 2 |
0.5859 | Remote Similarity | NPD6336 | Discontinued |
0.5851 | Remote Similarity | NPD4224 | Phase 2 |
0.5847 | Remote Similarity | NPD6011 | Approved |
0.5847 | Remote Similarity | NPD8174 | Phase 2 |
0.5833 | Remote Similarity | NPD6401 | Clinical (unspecified phase) |
0.5818 | Remote Similarity | NPD6399 | Phase 3 |
0.5752 | Remote Similarity | NPD4755 | Approved |
0.575 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD3171 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD2267 | Suspended |
0.5714 | Remote Similarity | NPD4758 | Discontinued |
0.5714 | Remote Similarity | NPD4788 | Approved |
0.5714 | Remote Similarity | NPD8449 | Approved |
0.5714 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5688 | Remote Similarity | NPD6051 | Approved |
0.5686 | Remote Similarity | NPD4802 | Phase 2 |
0.5686 | Remote Similarity | NPD3671 | Phase 1 |
0.5686 | Remote Similarity | NPD4238 | Approved |
0.5686 | Remote Similarity | NPD5364 | Discontinued |
0.5682 | Remote Similarity | NPD5956 | Approved |
0.5676 | Remote Similarity | NPD4202 | Approved |
0.5672 | Remote Similarity | NPD8450 | Suspended |
0.566 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.5652 | Remote Similarity | NPD4700 | Approved |
0.5652 | Remote Similarity | NPD5286 | Approved |
0.5652 | Remote Similarity | NPD4696 | Approved |
0.5652 | Remote Similarity | NPD5285 | Approved |
0.5648 | Remote Similarity | NPD7524 | Approved |
0.5645 | Remote Similarity | NPD6274 | Approved |
0.5636 | Remote Similarity | NPD6701 | Clinical (unspecified phase) |
0.5636 | Remote Similarity | NPD6700 | Approved |
0.5635 | Remote Similarity | NPD7100 | Approved |
0.5635 | Remote Similarity | NPD7101 | Approved |
0.563 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.562 | Remote Similarity | NPD4634 | Approved |
0.56 | Remote Similarity | NPD7115 | Discovery |
PubChem CID   | 11179910 |
ChEMBL   | CHEMBL504093 |
ZINC   |
Molecular Weight:   | 518.32 |
ALogP:   | -0.2789 |
MLogP:   | 3.99 |
XLogP:   | 4.71 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 94.45 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 2 |
# Rings:   | 7 |
# Heavy Atoms:   | 37 |