Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 6300 | nM | 18955515 | |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 10000 | nM | 20439614 |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | IC50 | > | 10000 | nM | 22037378 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | > | 10000 | nM | DrugMatrix in vitro pharmacology data |
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 NPC310138 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 | NPC114700 |
1.0 | High Similarity | NPC134967 |
1.0 | High Similarity | NPC470029 |
0.9894 | High Similarity | NPC472081 |
0.9894 | High Similarity | NPC476512 |
0.9894 | High Similarity | NPC108227 |
0.9688 | High Similarity | NPC476837 |
0.9688 | High Similarity | NPC139181 |
0.9688 | High Similarity | NPC97260 |
0.9684 | High Similarity | NPC476838 |
0.9684 | High Similarity | NPC476839 |
0.9574 | High Similarity | NPC233649 |
0.9574 | High Similarity | NPC470028 |
0.9479 | High Similarity | NPC475574 |
0.9468 | High Similarity | NPC238796 |
0.9468 | High Similarity | NPC142264 |
0.9468 | High Similarity | NPC237071 |
0.9468 | High Similarity | NPC203434 |
0.9468 | High Similarity | NPC476510 |
0.9468 | High Similarity | NPC156377 |
0.9375 | High Similarity | NPC470030 |
0.9362 | High Similarity | NPC473065 |
0.9362 | High Similarity | NPC473067 |
0.9362 | High Similarity | NPC473064 |
0.9263 | High Similarity | NPC296936 |
0.9255 | High Similarity | NPC191915 |
0.9255 | High Similarity | NPC252253 |
0.9255 | High Similarity | NPC151214 |
0.9255 | High Similarity | NPC45959 |
0.9255 | High Similarity | NPC175 |
0.9167 | High Similarity | NPC470591 |
0.9167 | High Similarity | NPC475207 |
0.9167 | High Similarity | NPC210157 |
0.9158 | High Similarity | NPC474399 |
0.9158 | High Similarity | NPC94582 |
0.9158 | High Similarity | NPC57964 |
0.9149 | High Similarity | NPC144790 |
0.9149 | High Similarity | NPC88962 |
0.9149 | High Similarity | NPC149400 |
0.9149 | High Similarity | NPC473726 |
0.9062 | High Similarity | NPC139271 |
0.9062 | High Similarity | NPC252056 |
0.9062 | High Similarity | NPC304011 |
0.9053 | High Similarity | NPC309866 |
0.9053 | High Similarity | NPC131693 |
0.9053 | High Similarity | NPC291547 |
0.9053 | High Similarity | NPC174024 |
0.9053 | High Similarity | NPC312678 |
0.9053 | High Similarity | NPC24960 |
0.9053 | High Similarity | NPC253268 |
0.9053 | High Similarity | NPC475436 |
0.9053 | High Similarity | NPC473774 |
0.9053 | High Similarity | NPC473851 |
0.9053 | High Similarity | NPC179859 |
0.9043 | High Similarity | NPC307167 |
0.9043 | High Similarity | NPC229801 |
0.9043 | High Similarity | NPC210759 |
0.9043 | High Similarity | NPC473066 |
0.8969 | High Similarity | NPC274200 |
0.8969 | High Similarity | NPC477223 |
0.8969 | High Similarity | NPC477222 |
0.8958 | High Similarity | NPC92196 |
0.8947 | High Similarity | NPC177834 |
0.8947 | High Similarity | NPC141769 |
0.8947 | High Similarity | NPC167644 |
0.8947 | High Similarity | NPC477451 |
0.8947 | High Similarity | NPC325828 |
0.8947 | High Similarity | NPC250393 |
0.8947 | High Similarity | NPC48339 |
0.8947 | High Similarity | NPC297348 |
0.8947 | High Similarity | NPC311246 |
0.8947 | High Similarity | NPC249204 |
0.8947 | High Similarity | NPC477547 |
0.8947 | High Similarity | NPC234352 |
0.8936 | High Similarity | NPC473542 |
0.8936 | High Similarity | NPC65550 |
0.8866 | High Similarity | NPC121453 |
0.8854 | High Similarity | NPC305418 |
0.8854 | High Similarity | NPC3538 |
0.8854 | High Similarity | NPC217205 |
0.8854 | High Similarity | NPC471464 |
0.8854 | High Similarity | NPC264101 |
0.8854 | High Similarity | NPC113500 |
0.8854 | High Similarity | NPC294686 |
0.8854 | High Similarity | NPC222731 |
0.8854 | High Similarity | NPC291203 |
0.8854 | High Similarity | NPC30687 |
0.8854 | High Similarity | NPC477224 |
0.8842 | High Similarity | NPC204881 |
0.8842 | High Similarity | NPC36372 |
0.8842 | High Similarity | NPC5632 |
0.8842 | High Similarity | NPC59006 |
0.8842 | High Similarity | NPC149966 |
0.8842 | High Similarity | NPC473830 |
0.883 | High Similarity | NPC228059 |
0.883 | High Similarity | NPC102725 |
0.883 | High Similarity | NPC131466 |
0.883 | High Similarity | NPC82955 |
0.8776 | High Similarity | NPC307534 |
0.8776 | High Similarity | NPC476112 |
0.8763 | High Similarity | NPC107962 |
0.8763 | High Similarity | NPC6295 |
0.8763 | High Similarity | NPC473727 |
0.8763 | High Similarity | NPC19400 |
0.8763 | High Similarity | NPC475351 |
0.8763 | High Similarity | NPC107188 |
0.8763 | High Similarity | NPC473610 |
0.8763 | High Similarity | NPC211354 |
0.8763 | High Similarity | NPC206003 |
0.875 | High Similarity | NPC277774 |
0.875 | High Similarity | NPC172838 |
0.875 | High Similarity | NPC137004 |
0.8738 | High Similarity | NPC472079 |
0.8737 | High Similarity | NPC279329 |
0.8737 | High Similarity | NPC223143 |
0.8723 | High Similarity | NPC281004 |
0.8687 | High Similarity | NPC292775 |
0.8687 | High Similarity | NPC473616 |
0.8687 | High Similarity | NPC473518 |
0.8687 | High Similarity | NPC291548 |
0.8673 | High Similarity | NPC470864 |
0.8673 | High Similarity | NPC84111 |
0.8673 | High Similarity | NPC470866 |
0.8673 | High Similarity | NPC160426 |
0.8673 | High Similarity | NPC473601 |
0.8673 | High Similarity | NPC132080 |
0.8673 | High Similarity | NPC30856 |
0.8673 | High Similarity | NPC287483 |
0.8673 | High Similarity | NPC475625 |
0.8673 | High Similarity | NPC103616 |
0.8673 | High Similarity | NPC98018 |
0.8673 | High Similarity | NPC475643 |
0.8673 | High Similarity | NPC284104 |
0.8673 | High Similarity | NPC116756 |
0.8673 | High Similarity | NPC128572 |
0.8673 | High Similarity | NPC232037 |
0.8673 | High Similarity | NPC470865 |
0.8673 | High Similarity | NPC97700 |
0.8673 | High Similarity | NPC195297 |
0.8673 | High Similarity | NPC470863 |
0.8673 | High Similarity | NPC184617 |
0.8646 | High Similarity | NPC293609 |
0.8632 | High Similarity | NPC20822 |
0.8632 | High Similarity | NPC473472 |
0.8617 | High Similarity | NPC140446 |
0.8617 | High Similarity | NPC43912 |
0.86 | High Similarity | NPC41843 |
0.8586 | High Similarity | NPC470862 |
0.8586 | High Similarity | NPC51520 |
0.8586 | High Similarity | NPC83137 |
0.8586 | High Similarity | NPC303069 |
0.8586 | High Similarity | NPC232611 |
0.8586 | High Similarity | NPC470861 |
0.8586 | High Similarity | NPC115165 |
0.8571 | High Similarity | NPC21897 |
0.8557 | High Similarity | NPC122083 |
0.8557 | High Similarity | NPC211845 |
0.8557 | High Similarity | NPC182740 |
0.8557 | High Similarity | NPC256104 |
0.8519 | High Similarity | NPC212660 |
0.8515 | High Similarity | NPC477172 |
0.85 | High Similarity | NPC209798 |
0.85 | High Similarity | NPC471374 |
0.85 | High Similarity | NPC473638 |
0.85 | High Similarity | NPC471375 |
0.8485 | Intermediate Similarity | NPC473287 |
0.8469 | Intermediate Similarity | NPC473503 |
0.8469 | Intermediate Similarity | NPC475325 |
0.8454 | Intermediate Similarity | NPC476668 |
0.8454 | Intermediate Similarity | NPC473637 |
0.8416 | Intermediate Similarity | NPC471426 |
0.8416 | Intermediate Similarity | NPC471428 |
0.8416 | Intermediate Similarity | NPC20028 |
0.8416 | Intermediate Similarity | NPC51579 |
0.8416 | Intermediate Similarity | NPC471427 |
0.8411 | Intermediate Similarity | NPC477489 |
0.8404 | Intermediate Similarity | NPC290612 |
0.8384 | Intermediate Similarity | NPC477494 |
0.8384 | Intermediate Similarity | NPC215570 |
0.8384 | Intermediate Similarity | NPC469710 |
0.8367 | Intermediate Similarity | NPC476669 |
0.8365 | Intermediate Similarity | NPC215408 |
0.8333 | Intermediate Similarity | NPC477225 |
0.8318 | Intermediate Similarity | NPC473062 |
0.8318 | Intermediate Similarity | NPC469824 |
0.8316 | Intermediate Similarity | NPC471411 |
0.8316 | Intermediate Similarity | NPC471410 |
0.8316 | Intermediate Similarity | NPC155531 |
0.8316 | Intermediate Similarity | NPC215968 |
0.8316 | Intermediate Similarity | NPC477283 |
0.8302 | Intermediate Similarity | NPC208333 |
0.8302 | Intermediate Similarity | NPC476835 |
0.8302 | Intermediate Similarity | NPC227879 |
0.8298 | Intermediate Similarity | NPC474156 |
0.8286 | Intermediate Similarity | NPC203974 |
0.8273 | Intermediate Similarity | NPC179429 |
0.8269 | Intermediate Similarity | NPC469827 |
0.8257 | Intermediate Similarity | NPC79193 |
0.8252 | Intermediate Similarity | NPC80191 |
0.8252 | Intermediate Similarity | NPC310031 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC310138 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 |
---|---|---|---|
0.8947 | High Similarity | NPD8171 | Discontinued |
0.8447 | Intermediate Similarity | NPD8170 | Clinical (unspecified phase) |
0.7895 | Intermediate Similarity | NPD8294 | Approved |
0.7895 | Intermediate Similarity | NPD8377 | Approved |
0.7872 | Intermediate Similarity | NPD6928 | Phase 2 |
0.7826 | Intermediate Similarity | NPD8378 | Approved |
0.7826 | Intermediate Similarity | NPD8296 | Approved |
0.7826 | Intermediate Similarity | NPD8380 | Approved |
0.7826 | Intermediate Similarity | NPD8335 | Approved |
0.7826 | Intermediate Similarity | NPD8033 | Approved |
0.7826 | Intermediate Similarity | NPD8379 | Approved |
0.7679 | Intermediate Similarity | NPD8133 | Approved |
0.7565 | Intermediate Similarity | NPD7327 | Approved |
0.7565 | Intermediate Similarity | NPD7328 | Approved |
0.75 | Intermediate Similarity | NPD7516 | Approved |
0.7131 | Intermediate Similarity | NPD7507 | Approved |
0.7083 | Intermediate Similarity | NPD7503 | Approved |
0.7018 | Intermediate Similarity | NPD8132 | Clinical (unspecified phase) |
0.7016 | Intermediate Similarity | NPD7736 | Approved |
0.7009 | Intermediate Similarity | NPD7991 | Discontinued |
0.696 | Remote Similarity | NPD7319 | Approved |
0.6931 | Remote Similarity | NPD3669 | Approved |
0.6931 | Remote Similarity | NPD3670 | Clinical (unspecified phase) |
0.6891 | Remote Similarity | NPD8295 | Clinical (unspecified phase) |
0.6809 | Remote Similarity | NPD4267 | Clinical (unspecified phase) |
0.6807 | Remote Similarity | NPD6940 | Discontinued |
0.68 | Remote Similarity | NPD8293 | Discontinued |
0.6768 | Remote Similarity | NPD6118 | Approved |
0.6768 | Remote Similarity | NPD6114 | Approved |
0.6768 | Remote Similarity | NPD6697 | Approved |
0.6768 | Remote Similarity | NPD6115 | Approved |
0.6701 | Remote Similarity | NPD1810 | Approved |
0.6701 | Remote Similarity | NPD1811 | Approved |
0.6696 | Remote Similarity | NPD6412 | Phase 2 |
0.6667 | Remote Similarity | NPD6116 | Phase 1 |
0.6613 | Remote Similarity | NPD6370 | Approved |
0.6566 | Remote Similarity | NPD6117 | Approved |
0.656 | Remote Similarity | NPD8328 | Phase 3 |
0.6508 | Remote Similarity | NPD7492 | Approved |
0.6457 | Remote Similarity | NPD6616 | Approved |
0.6452 | Remote Similarity | NPD6059 | Approved |
0.6452 | Remote Similarity | NPD6054 | Approved |
0.6406 | Remote Similarity | NPD7078 | Approved |
0.6404 | Remote Similarity | NPD1700 | Approved |
0.6392 | Remote Similarity | NPD2686 | Approved |
0.6392 | Remote Similarity | NPD7532 | Clinical (unspecified phase) |
0.6392 | Remote Similarity | NPD2687 | Approved |
0.6392 | Remote Similarity | NPD2254 | Approved |
0.6379 | Remote Similarity | NPD4056 | Clinical (unspecified phase) |
0.6379 | Remote Similarity | NPD4057 | Clinical (unspecified phase) |
0.6364 | Remote Similarity | NPD6113 | Clinical (unspecified phase) |
0.63 | Remote Similarity | NPD3702 | Approved |
0.6288 | Remote Similarity | NPD8449 | Approved |
0.6286 | Remote Similarity | NPD7625 | Phase 1 |
0.6273 | Remote Similarity | NPD8034 | Phase 2 |
0.6273 | Remote Similarity | NPD8035 | Phase 2 |
0.627 | Remote Similarity | NPD6016 | Approved |
0.627 | Remote Similarity | NPD6015 | Approved |
0.625 | Remote Similarity | NPD1780 | Approved |
0.625 | Remote Similarity | NPD1779 | Approved |
0.6241 | Remote Similarity | NPD8450 | Suspended |
0.6224 | Remote Similarity | NPD4787 | Phase 1 |
0.622 | Remote Similarity | NPD5988 | Approved |
0.6218 | Remote Similarity | NPD6686 | Approved |
0.6218 | Remote Similarity | NPD8174 | Phase 2 |
0.619 | Remote Similarity | NPD6319 | Approved |
0.6172 | Remote Similarity | NPD6067 | Discontinued |
0.6148 | Remote Similarity | NPD8297 | Approved |
0.6148 | Remote Similarity | NPD6882 | Approved |
0.6087 | Remote Similarity | NPD7638 | Approved |
0.608 | Remote Similarity | NPD6009 | Approved |
0.6034 | Remote Similarity | NPD7640 | Approved |
0.6034 | Remote Similarity | NPD7639 | Approved |
0.6019 | Remote Similarity | NPD7520 | Clinical (unspecified phase) |
0.6016 | Remote Similarity | NPD8517 | Approved |
0.6016 | Remote Similarity | NPD8513 | Phase 3 |
0.6016 | Remote Similarity | NPD8515 | Approved |
0.6016 | Remote Similarity | NPD8516 | Approved |
0.6 | Remote Similarity | NPD5777 | Approved |
0.6 | Remote Similarity | NPD4809 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD4808 | Clinical (unspecified phase) |
0.5985 | Remote Similarity | NPD6033 | Approved |
0.598 | Remote Similarity | NPD3703 | Phase 2 |
0.5968 | Remote Similarity | NPD4632 | Approved |
0.595 | Remote Similarity | NPD5345 | Clinical (unspecified phase) |
0.595 | Remote Similarity | NPD7320 | Approved |
0.5938 | Remote Similarity | NPD371 | Approved |
0.5932 | Remote Similarity | NPD7632 | Discontinued |
0.5923 | Remote Similarity | NPD7604 | Phase 2 |
0.5917 | Remote Similarity | NPD6402 | Approved |
0.5917 | Remote Similarity | NPD6008 | Approved |
0.5917 | Remote Similarity | NPD6675 | Approved |
0.5917 | Remote Similarity | NPD5739 | Approved |
0.5917 | Remote Similarity | NPD7128 | Approved |
0.5902 | Remote Similarity | NPD6372 | Approved |
0.5902 | Remote Similarity | NPD6373 | Approved |
0.5902 | Remote Similarity | NPD4061 | Clinical (unspecified phase) |
0.59 | Remote Similarity | NPD4244 | Approved |
0.59 | Remote Similarity | NPD4245 | Approved |
0.5868 | Remote Similarity | NPD7646 | Clinical (unspecified phase) |
0.5849 | Remote Similarity | NPD7525 | Registered |
0.582 | Remote Similarity | NPD6899 | Approved |
0.582 | Remote Similarity | NPD6881 | Approved |
0.5806 | Remote Similarity | NPD8130 | Phase 1 |
0.5806 | Remote Similarity | NPD6649 | Approved |
0.5806 | Remote Similarity | NPD6650 | Approved |
0.58 | Remote Similarity | NPD3700 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD3698 | Phase 2 |
0.58 | Remote Similarity | NPD3699 | Clinical (unspecified phase) |
0.5763 | Remote Similarity | NPD8418 | Phase 2 |
0.5738 | Remote Similarity | NPD5697 | Approved |
0.5738 | Remote Similarity | NPD5701 | Approved |
0.5726 | Remote Similarity | NPD7102 | Approved |
0.5726 | Remote Similarity | NPD7290 | Approved |
0.5726 | Remote Similarity | NPD6883 | Approved |
0.5726 | Remote Similarity | NPD5955 | Clinical (unspecified phase) |
0.5703 | Remote Similarity | NPD7115 | Discovery |
0.57 | Remote Similarity | NPD5360 | Phase 3 |
0.57 | Remote Similarity | NPD5361 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD6356 | Clinical (unspecified phase) |
0.5686 | Remote Similarity | NPD6081 | Approved |
0.568 | Remote Similarity | NPD6869 | Approved |
0.568 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.568 | Remote Similarity | NPD6617 | Approved |
0.568 | Remote Similarity | NPD6847 | Approved |
0.5667 | Remote Similarity | NPD8085 | Approved |
0.5667 | Remote Similarity | NPD8139 | Approved |
0.5667 | Remote Similarity | NPD8138 | Approved |
0.5667 | Remote Similarity | NPD8084 | Approved |
0.5667 | Remote Similarity | NPD8083 | Approved |
0.5667 | Remote Similarity | NPD8086 | Approved |
0.5667 | Remote Similarity | NPD8082 | Approved |
0.5649 | Remote Similarity | NPD5983 | Phase 2 |
0.5645 | Remote Similarity | NPD6014 | Approved |
0.5645 | Remote Similarity | NPD6012 | Approved |
0.5645 | Remote Similarity | NPD6013 | Approved |
0.5625 | Remote Similarity | NPD7755 | Approved |
0.5625 | Remote Similarity | NPD7754 | Approved |
0.562 | Remote Similarity | NPD7912 | Approved |
0.562 | Remote Similarity | NPD8275 | Approved |
0.562 | Remote Similarity | NPD7986 | Approved |
0.562 | Remote Similarity | NPD8276 | Approved |
0.562 | Remote Similarity | NPD7987 | Approved |
0.562 | Remote Similarity | NPD7911 | Approved |
0.5603 | Remote Similarity | NPD7748 | Approved |
0.56 | Remote Similarity | NPD4634 | Approved |
PubChem CID   | 44206677 |
ChEMBL   | CHEMBL3337639 |
ZINC   |
Molecular Weight:   | 704.41 |
ALogP:   | -0.0761 |
MLogP:   | 4.54 |
XLogP:   | 6.438 |
# Rotatable Bonds:   | 19 |
Polar Surface Area:   | 150.21 |
# H-Bond Aceptor:   | 11 |
# H-Bond Donor:   | 3 |
# Rings:   | 8 |
# Heavy Atoms:   | 50 |