Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1460 | Cell Line | L929 | Mus musculus | IC50 | = | 0.011 | ug/ml | 10.1039/C3MD00094J |
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 NPC186452 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 |
---|---|---|
0.9932 | High Similarity | NPC211555 |
0.9733 | High Similarity | NPC12660 |
0.9669 | High Similarity | NPC54983 |
0.7844 | Intermediate Similarity | NPC30527 |
0.7719 | Intermediate Similarity | NPC475455 |
0.7401 | Intermediate Similarity | NPC58001 |
0.7401 | Intermediate Similarity | NPC314523 |
0.7229 | Intermediate Similarity | NPC475737 |
0.7229 | Intermediate Similarity | NPC185665 |
0.7229 | Intermediate Similarity | NPC474094 |
0.7186 | Intermediate Similarity | NPC45576 |
0.7186 | Intermediate Similarity | NPC163147 |
0.7186 | Intermediate Similarity | NPC32583 |
0.7186 | Intermediate Similarity | NPC154873 |
0.7186 | Intermediate Similarity | NPC109498 |
0.7186 | Intermediate Similarity | NPC252616 |
0.7186 | Intermediate Similarity | NPC474090 |
0.7186 | Intermediate Similarity | NPC61667 |
0.7181 | Intermediate Similarity | NPC476829 |
0.7176 | Intermediate Similarity | NPC231110 |
0.7143 | Intermediate Similarity | NPC224609 |
0.7143 | Intermediate Similarity | NPC268063 |
0.7135 | Intermediate Similarity | NPC312887 |
0.7126 | Intermediate Similarity | NPC474067 |
0.7108 | Intermediate Similarity | NPC82436 |
0.7108 | Intermediate Similarity | NPC474103 |
0.7108 | Intermediate Similarity | NPC474068 |
0.7108 | Intermediate Similarity | NPC474064 |
0.7066 | Intermediate Similarity | NPC474080 |
0.7066 | Intermediate Similarity | NPC474079 |
0.7066 | Intermediate Similarity | NPC21449 |
0.7066 | Intermediate Similarity | NPC474102 |
0.7066 | Intermediate Similarity | NPC157194 |
0.7066 | Intermediate Similarity | NPC475683 |
0.7018 | Intermediate Similarity | NPC127775 |
0.7 | Intermediate Similarity | NPC212214 |
0.6959 | Remote Similarity | NPC21126 |
0.6919 | Remote Similarity | NPC52587 |
0.6919 | Remote Similarity | NPC474538 |
0.6901 | Remote Similarity | NPC202591 |
0.6882 | Remote Similarity | NPC206724 |
0.6882 | Remote Similarity | NPC474515 |
0.6826 | Remote Similarity | NPC474069 |
0.6524 | Remote Similarity | NPC476828 |
0.648 | Remote Similarity | NPC208297 |
0.648 | Remote Similarity | NPC224395 |
0.6459 | Remote Similarity | NPC476831 |
0.6459 | Remote Similarity | NPC476826 |
0.6459 | Remote Similarity | NPC476827 |
0.6445 | Remote Similarity | NPC325683 |
0.6429 | Remote Similarity | NPC477219 |
0.6429 | Remote Similarity | NPC476830 |
0.6398 | Remote Similarity | NPC37924 |
0.6368 | Remote Similarity | NPC476832 |
0.6345 | Remote Similarity | NPC295653 |
0.6345 | Remote Similarity | NPC107458 |
0.6326 | Remote Similarity | NPC322800 |
0.6326 | Remote Similarity | NPC168135 |
0.6287 | Remote Similarity | NPC258022 |
0.6284 | Remote Similarity | NPC477589 |
0.6284 | Remote Similarity | NPC477587 |
0.6279 | Remote Similarity | NPC177432 |
0.6279 | Remote Similarity | NPC299035 |
0.625 | Remote Similarity | NPC477218 |
0.6227 | Remote Similarity | NPC477590 |
0.6227 | Remote Similarity | NPC477586 |
0.6227 | Remote Similarity | NPC477588 |
0.6227 | Remote Similarity | NPC477585 |
0.6224 | Remote Similarity | NPC58112 |
0.6224 | Remote Similarity | NPC306300 |
0.6224 | Remote Similarity | NPC88938 |
0.622 | Remote Similarity | NPC309919 |
0.619 | Remote Similarity | NPC474070 |
0.6143 | Remote Similarity | NPC49195 |
0.6091 | Remote Similarity | NPC199461 |
0.6091 | Remote Similarity | NPC103452 |
0.6091 | Remote Similarity | NPC46313 |
0.604 | Remote Similarity | NPC48323 |
0.604 | Remote Similarity | NPC289029 |
0.5808 | Remote Similarity | NPC72715 |
0.5774 | Remote Similarity | NPC475604 |
0.5625 | Remote Similarity | NPC209981 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC186452 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 |
---|---|---|---|
0.7229 | Intermediate Similarity | NPD6907 | Phase 2 |
0.7059 | Intermediate Similarity | NPD6347 | Phase 2 |
0.6959 | Remote Similarity | NPD6910 | Phase 3 |
0.6931 | Remote Similarity | NPD7490 | Discontinued |
0.686 | Remote Similarity | NPD6911 | Discontinued |
0.6649 | Remote Similarity | NPD7896 | Approved |
0.6648 | Remote Similarity | NPD6916 | Clinical (unspecified phase) |
0.6346 | Remote Similarity | NPD6974 | Phase 3 |
0.6311 | Remote Similarity | NPD4667 | Clinical (unspecified phase) |
0.6145 | Remote Similarity | NPD6915 | Approved |
0.6129 | Remote Similarity | NPD6870 | Phase 1 |
0.6089 | Remote Similarity | NPD2779 | Approved |
0.602 | Remote Similarity | NPD6857 | Phase 3 |
0.5972 | Remote Similarity | NPD2433 | Clinical (unspecified phase) |
0.5943 | Remote Similarity | NPD5443 | Clinical (unspecified phase) |
0.5941 | Remote Similarity | NPD2778 | Approved |
0.5926 | Remote Similarity | NPD7547 | Clinical (unspecified phase) |
0.5924 | Remote Similarity | NPD1638 | Discovery |
0.5864 | Remote Similarity | NPD4898 | Clinical (unspecified phase) |
0.5804 | Remote Similarity | NPD7853 | Phase 2 |
0.5787 | Remote Similarity | NPD7180 | Phase 3 |
0.5695 | Remote Similarity | NPD7284 | Clinical (unspecified phase) |
0.5695 | Remote Similarity | NPD1867 | Approved |
0.566 | Remote Similarity | NPD2081 | Clinical (unspecified phase) |
0.5654 | Remote Similarity | NPD3945 | Discontinued |
0.5637 | Remote Similarity | NPD5512 | Phase 3 |
0.5628 | Remote Similarity | NPD6169 | Phase 1 |
0.5614 | Remote Similarity | NPD4394 | Clinical (unspecified phase) |
0.5611 | Remote Similarity | NPD6247 | Clinical (unspecified phase) |
PubChem CID   | 9804980 |
ChEMBL   | CHEMBL471687 |
ZINC   |
Molecular Weight:   | 475.29 |
ALogP:   | 1.9617 |
MLogP:   | 3.66 |
XLogP:   | 3.127 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 109.86 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 2 |
# Rings:   | 2 |
# Heavy Atoms:   | 34 |