Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 128 | ug/ml | 21510638 |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | > | 128 | ug/ml | 21510638 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | > | 128 | ug/ml | 21510638 |
NPT1107 | Organism | Mycobacterium smegmatis str. MC2 155 | Mycobacterium smegmatis str. MC2 155 | MIC | > | 128 | ug/ml | 21510638 |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | > | 128 | ug/ml | 21510638 |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | > | 128 | ug/ml | 21510638 |
NPT3495 | Organism | Morganella morganii | Morganella morganii | MIC | > | 128 | ug/ml | 21510638 |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | > | 128 | ug/ml | 21510638 |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | > | 128 | ug/ml | 21510638 |
NPT81 | Cell Line | A549 | Homo sapiens | IC50 | > | 10000 | nM | 21510638 |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 10000 | nM | 21510638 |
NPT165 | Cell Line | HeLa | Homo sapiens | IC50 | > | 10000 | nM | 21510638 |
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 NPC259586 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 |
---|---|---|
0.9906 | High Similarity | NPC222481 |
0.9906 | High Similarity | NPC470621 |
0.8611 | High Similarity | NPC62845 |
0.8611 | High Similarity | NPC322449 |
0.8611 | High Similarity | NPC92874 |
0.8611 | High Similarity | NPC166242 |
0.8611 | High Similarity | NPC189854 |
0.8532 | High Similarity | NPC325900 |
0.8532 | High Similarity | NPC10897 |
0.8519 | High Similarity | NPC314398 |
0.8519 | High Similarity | NPC239705 |
0.8519 | High Similarity | NPC314413 |
0.6462 | Remote Similarity | NPC477237 |
0.6439 | Remote Similarity | NPC94319 |
0.6429 | Remote Similarity | NPC469363 |
0.6391 | Remote Similarity | NPC325750 |
0.6364 | Remote Similarity | NPC477238 |
0.6349 | Remote Similarity | NPC57436 |
0.6349 | Remote Similarity | NPC121479 |
0.6316 | Remote Similarity | NPC471262 |
0.6239 | Remote Similarity | NPC270005 |
0.6239 | Remote Similarity | NPC208537 |
0.6222 | Remote Similarity | NPC477518 |
0.6214 | Remote Similarity | NPC318142 |
0.6186 | Remote Similarity | NPC216278 |
0.6176 | Remote Similarity | NPC471263 |
0.617 | Remote Similarity | NPC471256 |
0.6121 | Remote Similarity | NPC292345 |
0.6102 | Remote Similarity | NPC328646 |
0.6066 | Remote Similarity | NPC475440 |
0.6038 | Remote Similarity | NPC328457 |
0.5985 | Remote Similarity | NPC313813 |
0.5983 | Remote Similarity | NPC275715 |
0.5982 | Remote Similarity | NPC314466 |
0.5912 | Remote Similarity | NPC471255 |
0.5897 | Remote Similarity | NPC316244 |
0.586 | Remote Similarity | NPC322372 |
0.586 | Remote Similarity | NPC327517 |
0.586 | Remote Similarity | NPC321485 |
0.586 | Remote Similarity | NPC317377 |
0.586 | Remote Similarity | NPC319334 |
0.5859 | Remote Similarity | NPC59589 |
0.584 | Remote Similarity | NPC42320 |
0.584 | Remote Similarity | NPC188453 |
0.5833 | Remote Similarity | NPC471202 |
0.5833 | Remote Similarity | NPC63191 |
0.5827 | Remote Similarity | NPC128303 |
0.582 | Remote Similarity | NPC330590 |
0.5798 | Remote Similarity | NPC477729 |
0.5781 | Remote Similarity | NPC241394 |
0.5781 | Remote Similarity | NPC475637 |
0.5775 | Remote Similarity | NPC313657 |
0.5766 | Remote Similarity | NPC245534 |
0.5762 | Remote Similarity | NPC477519 |
0.575 | Remote Similarity | NPC474576 |
0.5735 | Remote Similarity | NPC471261 |
0.5726 | Remote Similarity | NPC83839 |
0.5714 | Remote Similarity | NPC191774 |
0.5714 | Remote Similarity | NPC314968 |
0.5714 | Remote Similarity | NPC314772 |
0.5702 | Remote Similarity | NPC62263 |
0.5702 | Remote Similarity | NPC471098 |
0.5702 | Remote Similarity | NPC173763 |
0.5701 | Remote Similarity | NPC133183 |
0.569 | Remote Similarity | NPC155670 |
0.569 | Remote Similarity | NPC95478 |
0.569 | Remote Similarity | NPC145748 |
0.5678 | Remote Similarity | NPC477728 |
0.5678 | Remote Similarity | NPC306838 |
0.5667 | Remote Similarity | NPC474593 |
0.5667 | Remote Similarity | NPC475801 |
0.5664 | Remote Similarity | NPC316807 |
0.5659 | Remote Similarity | NPC475918 |
0.5641 | Remote Similarity | NPC227051 |
0.5635 | Remote Similarity | NPC315036 |
0.5633 | Remote Similarity | NPC477398 |
0.5629 | Remote Similarity | NPC142761 |
0.5625 | Remote Similarity | NPC221148 |
0.5625 | Remote Similarity | NPC315780 |
0.5614 | Remote Similarity | NPC83248 |
0.5614 | Remote Similarity | NPC100204 |
0.5603 | Remote Similarity | NPC165119 |
0.56 | Remote Similarity | NPC472736 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC259586 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 |
---|---|---|---|
0.7094 | Intermediate Similarity | NPD8045 | Clinical (unspecified phase) |
0.687 | Remote Similarity | NPD6428 | Approved |
0.6786 | Remote Similarity | NPD3716 | Discontinued |
0.6606 | Remote Similarity | NPD4829 | Discontinued |
0.6579 | Remote Similarity | NPD4261 | Phase 1 |
0.6439 | Remote Similarity | NPD4828 | Approved |
0.6439 | Remote Similarity | NPD4827 | Approved |
0.6439 | Remote Similarity | NPD4826 | Approved |
0.6418 | Remote Similarity | NPD4816 | Clinical (unspecified phase) |
0.641 | Remote Similarity | NPD6424 | Approved |
0.64 | Remote Similarity | NPD6941 | Approved |
0.6349 | Remote Similarity | NPD35 | Approved |
0.6349 | Remote Similarity | NPD4833 | Approved |
0.6281 | Remote Similarity | NPD6120 | Clinical (unspecified phase) |
0.6279 | Remote Similarity | NPD3204 | Clinical (unspecified phase) |
0.6271 | Remote Similarity | NPD8394 | Approved |
0.626 | Remote Similarity | NPD6122 | Discontinued |
0.6226 | Remote Similarity | NPD366 | Approved |
0.622 | Remote Similarity | NPD1805 | Phase 2 |
0.622 | Remote Similarity | NPD1804 | Phase 2 |
0.6218 | Remote Similarity | NPD7844 | Discontinued |
0.6186 | Remote Similarity | NPD6423 | Approved |
0.6186 | Remote Similarity | NPD6425 | Approved |
0.6186 | Remote Similarity | NPD6426 | Approved |
0.6186 | Remote Similarity | NPD6427 | Approved |
0.616 | Remote Similarity | NPD1428 | Phase 2 |
0.6154 | Remote Similarity | NPD6432 | Approved |
0.6154 | Remote Similarity | NPD6431 | Approved |
0.6154 | Remote Similarity | NPD6433 | Approved |
0.6154 | Remote Similarity | NPD6434 | Clinical (unspecified phase) |
0.6121 | Remote Similarity | NPD618 | Clinical (unspecified phase) |
0.6107 | Remote Similarity | NPD869 | Approved |
0.6036 | Remote Similarity | NPD9429 | Discontinued |
0.6032 | Remote Similarity | NPD5376 | Approved |
0.6016 | Remote Similarity | NPD284 | Phase 1 |
0.5984 | Remote Similarity | NPD8175 | Discontinued |
0.5929 | Remote Similarity | NPD2691 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD1385 | Discontinued |
0.5859 | Remote Similarity | NPD1827 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD1829 | Clinical (unspecified phase) |
0.5859 | Remote Similarity | NPD1828 | Approved |
0.5854 | Remote Similarity | NPD8038 | Phase 2 |
0.5827 | Remote Similarity | NPD2700 | Approved |
0.582 | Remote Similarity | NPD5377 | Approved |
0.582 | Remote Similarity | NPD5378 | Approved |
0.582 | Remote Similarity | NPD7841 | Clinical (unspecified phase) |
0.582 | Remote Similarity | NPD5381 | Approved |
0.5809 | Remote Similarity | NPD8345 | Approved |
0.5809 | Remote Similarity | NPD8346 | Approved |
0.5809 | Remote Similarity | NPD8347 | Approved |
0.5806 | Remote Similarity | NPD4825 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD7141 | Clinical (unspecified phase) |
0.5794 | Remote Similarity | NPD7139 | Approved |
0.5794 | Remote Similarity | NPD7140 | Approved |
0.5785 | Remote Similarity | NPD1446 | Phase 3 |
0.5785 | Remote Similarity | NPD1447 | Phase 3 |
0.5763 | Remote Similarity | NPD3177 | Phase 3 |
0.5748 | Remote Similarity | NPD4743 | Phase 2 |
0.5748 | Remote Similarity | NPD3161 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD3160 | Suspended |
0.5714 | Remote Similarity | NPD9434 | Approved |
0.5714 | Remote Similarity | NPD9435 | Approved |
0.5705 | Remote Similarity | NPD6077 | Discontinued |
0.5704 | Remote Similarity | NPD6935 | Phase 3 |
0.5704 | Remote Similarity | NPD6936 | Clinical (unspecified phase) |
0.569 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.568 | Remote Similarity | NPD2255 | Approved |
0.566 | Remote Similarity | NPD9233 | Phase 3 |
0.566 | Remote Similarity | NPD9231 | Phase 3 |
0.566 | Remote Similarity | NPD9232 | Phase 2 |
0.5641 | Remote Similarity | NPD9401 | Discovery |
0.563 | Remote Similarity | NPD4759 | Clinical (unspecified phase) |
0.5625 | Remote Similarity | NPD1450 | Approved |
0.5625 | Remote Similarity | NPD1449 | Approved |
0.5606 | Remote Similarity | NPD8087 | Discontinued |
0.5603 | Remote Similarity | NPD883 | Phase 2 |
0.5603 | Remote Similarity | NPD882 | Phase 2 |
0.56 | Remote Similarity | NPD4282 | Approved |
PubChem CID   | 53355347 |
ChEMBL   | CHEMBL1801786 |
ZINC   |
Molecular Weight:   | 562.27 |
ALogP:   | -4.6486 |
MLogP:   | 1.79 |
XLogP:   | -4.73 |
# Rotatable Bonds:   | 25 |
Polar Surface Area:   | 314.17 |
# H-Bond Aceptor:   | 18 |
# H-Bond Donor:   | 12 |
# Rings:   | 2 |
# Heavy Atoms:   | 39 |