Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 256 | ug/ml | 16854066 |
NPT3495 | Organism | Morganella morganii | Morganella morganii | MIC | > | 256 | ug/ml | 17583950 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | > | 256 | ug/ml | 17583950 |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 256 | ug/ml | 22742761 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | > | 256 | ug/ml | 22742761 |
NPT1107 | Organism | Mycobacterium smegmatis str. MC2 155 | Mycobacterium smegmatis str. MC2 155 | MIC | > | 256 | ug/ml | 14510596 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | > | 256 | ug/ml | 14510596 |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | > | 256 | ug/ml | PubChem BioAssay data set |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | > | 256 | ug/ml | PubChem BioAssay data set |
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 NPC222481 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 | NPC470621 |
0.9906 | High Similarity | NPC259586 |
0.8624 | High Similarity | NPC325900 |
0.8624 | High Similarity | NPC10897 |
0.8532 | High Similarity | NPC189854 |
0.8532 | High Similarity | NPC92874 |
0.8532 | High Similarity | NPC62845 |
0.8532 | High Similarity | NPC322449 |
0.8532 | High Similarity | NPC166242 |
0.844 | Intermediate Similarity | NPC314413 |
0.844 | Intermediate Similarity | NPC314398 |
0.844 | Intermediate Similarity | NPC239705 |
0.6538 | Remote Similarity | NPC477237 |
0.6439 | Remote Similarity | NPC477238 |
0.6391 | Remote Similarity | NPC94319 |
0.6372 | Remote Similarity | NPC469363 |
0.6343 | Remote Similarity | NPC325750 |
0.6299 | Remote Similarity | NPC57436 |
0.6299 | Remote Similarity | NPC121479 |
0.6296 | Remote Similarity | NPC477518 |
0.6269 | Remote Similarity | NPC471262 |
0.6186 | Remote Similarity | NPC208537 |
0.6186 | Remote Similarity | NPC270005 |
0.617 | Remote Similarity | NPC318142 |
0.6134 | Remote Similarity | NPC216278 |
0.6131 | Remote Similarity | NPC471263 |
0.6127 | Remote Similarity | NPC471256 |
0.6068 | Remote Similarity | NPC292345 |
0.605 | Remote Similarity | NPC328646 |
0.6016 | Remote Similarity | NPC475440 |
0.5981 | Remote Similarity | NPC328457 |
0.5962 | Remote Similarity | NPC316244 |
0.594 | Remote Similarity | NPC313813 |
0.5932 | Remote Similarity | NPC275715 |
0.5929 | Remote Similarity | NPC314466 |
0.5924 | Remote Similarity | NPC321485 |
0.5924 | Remote Similarity | NPC327517 |
0.5924 | Remote Similarity | NPC319334 |
0.5924 | Remote Similarity | NPC322372 |
0.5924 | Remote Similarity | NPC317377 |
0.5909 | Remote Similarity | NPC63191 |
0.5909 | Remote Similarity | NPC471202 |
0.5906 | Remote Similarity | NPC128303 |
0.5882 | Remote Similarity | NPC477729 |
0.587 | Remote Similarity | NPC471255 |
0.5859 | Remote Similarity | NPC241394 |
0.5845 | Remote Similarity | NPC313657 |
0.5828 | Remote Similarity | NPC477519 |
0.5814 | Remote Similarity | NPC59589 |
0.5812 | Remote Similarity | NPC83839 |
0.5794 | Remote Similarity | NPC188453 |
0.5794 | Remote Similarity | NPC42320 |
0.5776 | Remote Similarity | NPC95478 |
0.5776 | Remote Similarity | NPC145748 |
0.5776 | Remote Similarity | NPC155670 |
0.5772 | Remote Similarity | NPC330590 |
0.5763 | Remote Similarity | NPC477728 |
0.5736 | Remote Similarity | NPC475637 |
0.5726 | Remote Similarity | NPC227051 |
0.5725 | Remote Similarity | NPC245534 |
0.5702 | Remote Similarity | NPC474576 |
0.5695 | Remote Similarity | NPC142761 |
0.5693 | Remote Similarity | NPC471261 |
0.5664 | Remote Similarity | NPC314772 |
0.5664 | Remote Similarity | NPC314968 |
0.5664 | Remote Similarity | NPC191774 |
0.5656 | Remote Similarity | NPC471098 |
0.5656 | Remote Similarity | NPC62263 |
0.5656 | Remote Similarity | NPC173763 |
0.5648 | Remote Similarity | NPC133183 |
0.5635 | Remote Similarity | NPC220234 |
0.563 | Remote Similarity | NPC306838 |
0.562 | Remote Similarity | NPC475801 |
0.562 | Remote Similarity | NPC474593 |
0.5615 | Remote Similarity | NPC475918 |
0.5614 | Remote Similarity | NPC316807 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC222481 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 |
---|---|---|---|
0.7179 | Intermediate Similarity | NPD8045 | Clinical (unspecified phase) |
0.681 | Remote Similarity | NPD6428 | Approved |
0.6726 | Remote Similarity | NPD3716 | Discontinued |
0.6545 | Remote Similarity | NPD4829 | Discontinued |
0.6522 | Remote Similarity | NPD4261 | Phase 1 |
0.6391 | Remote Similarity | NPD4826 | Approved |
0.6391 | Remote Similarity | NPD4828 | Approved |
0.6391 | Remote Similarity | NPD4827 | Approved |
0.637 | Remote Similarity | NPD4816 | Clinical (unspecified phase) |
0.6356 | Remote Similarity | NPD8394 | Approved |
0.6356 | Remote Similarity | NPD6424 | Approved |
0.6349 | Remote Similarity | NPD6941 | Approved |
0.6303 | Remote Similarity | NPD7844 | Discontinued |
0.6299 | Remote Similarity | NPD4833 | Approved |
0.6299 | Remote Similarity | NPD35 | Approved |
0.6231 | Remote Similarity | NPD3204 | Clinical (unspecified phase) |
0.623 | Remote Similarity | NPD6120 | Clinical (unspecified phase) |
0.621 | Remote Similarity | NPD6122 | Discontinued |
0.6172 | Remote Similarity | NPD1804 | Phase 2 |
0.6172 | Remote Similarity | NPD1805 | Phase 2 |
0.6168 | Remote Similarity | NPD366 | Approved |
0.6134 | Remote Similarity | NPD6423 | Approved |
0.6134 | Remote Similarity | NPD6426 | Approved |
0.6134 | Remote Similarity | NPD6425 | Approved |
0.6134 | Remote Similarity | NPD6427 | Approved |
0.6111 | Remote Similarity | NPD1428 | Phase 2 |
0.6102 | Remote Similarity | NPD6432 | Approved |
0.6102 | Remote Similarity | NPD6433 | Approved |
0.6102 | Remote Similarity | NPD6431 | Approved |
0.6102 | Remote Similarity | NPD6434 | Clinical (unspecified phase) |
0.6068 | Remote Similarity | NPD618 | Clinical (unspecified phase) |
0.6063 | Remote Similarity | NPD8175 | Discontinued |
0.6061 | Remote Similarity | NPD869 | Approved |
0.5984 | Remote Similarity | NPD5376 | Approved |
0.5982 | Remote Similarity | NPD9429 | Discontinued |
0.5969 | Remote Similarity | NPD284 | Phase 1 |
0.5935 | Remote Similarity | NPD8038 | Phase 2 |
0.5902 | Remote Similarity | NPD7841 | Clinical (unspecified phase) |
0.5882 | Remote Similarity | NPD8346 | Approved |
0.5882 | Remote Similarity | NPD8347 | Approved |
0.5882 | Remote Similarity | NPD8345 | Approved |
0.5877 | Remote Similarity | NPD2691 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD1385 | Discontinued |
0.5814 | Remote Similarity | NPD1827 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD1829 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD1828 | Approved |
0.5781 | Remote Similarity | NPD2700 | Approved |
0.5772 | Remote Similarity | NPD5381 | Approved |
0.5772 | Remote Similarity | NPD5378 | Approved |
0.5772 | Remote Similarity | NPD5377 | Approved |
0.576 | Remote Similarity | NPD4825 | Clinical (unspecified phase) |
0.5748 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.5748 | Remote Similarity | NPD7139 | Approved |
0.5748 | Remote Similarity | NPD7140 | Approved |
0.5738 | Remote Similarity | NPD1447 | Phase 3 |
0.5738 | Remote Similarity | NPD1446 | Phase 3 |
0.5714 | Remote Similarity | NPD3177 | Phase 3 |
0.5703 | Remote Similarity | NPD4743 | Phase 2 |
0.5703 | Remote Similarity | NPD3161 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD8087 | Discontinued |
0.5667 | Remote Similarity | NPD6077 | Discontinued |
0.5664 | Remote Similarity | NPD3160 | Suspended |
0.5664 | Remote Similarity | NPD9435 | Approved |
0.5664 | Remote Similarity | NPD9434 | Approved |
0.5664 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5662 | Remote Similarity | NPD6936 | Clinical (unspecified phase) |
0.5662 | Remote Similarity | NPD6935 | Phase 3 |
0.5641 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.5635 | Remote Similarity | NPD2255 | Approved |
0.563 | Remote Similarity | NPD7915 | Approved |
0.563 | Remote Similarity | NPD7916 | Approved |
0.5607 | Remote Similarity | NPD9231 | Phase 3 |
0.5607 | Remote Similarity | NPD9232 | Phase 2 |
0.5607 | Remote Similarity | NPD9233 | Phase 3 |
PubChem CID   | 70693302 |
ChEMBL   | CHEMBL2088426 |
ZINC   |
Molecular Weight:   | 818.46 |
ALogP:   | -7.92 |
MLogP:   | 2.45 |
XLogP:   | -5.28 |
# Rotatable Bonds:   | 41 |
Polar Surface Area:   | 431.39 |
# H-Bond Aceptor:   | 24 |
# H-Bond Donor:   | 16 |
# Rings:   | 2 |
# Heavy Atoms:   | 57 |