Molecule Details
| InChIKey | WLCFORZKXCNDGY-DSMAAZSFSA-N |
|---|---|
| Compound Name | [(2R,4E,6E,8R,9R,11R,12S,13S,14R)-12-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-butanoyloxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methoxy-2,9-dimethyl-16-oxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-8-yl] butanoate |
| Canonical SMILES | CCCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CCC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 55 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.05 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (55)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P02358 | rpsF | Escherichia coli (strain K12) | Pathogen | PF01250 | 6.0 | IC50 | ChEMBL |
| P02359 | rpsG | Escherichia coli (strain K12) | Pathogen | PF00177 | 6.0 | IC50 | ChEMBL |
| P02413 | rplO | Escherichia coli (strain K12) | Pathogen | PF00828 | 6.0 | IC50 | ChEMBL |
| P0A7J3 | rplJ | Escherichia coli (strain K12) | Pathogen | PF00466 | 6.0 | IC50 | ChEMBL |
| P0A7J7 | rplK | Escherichia coli (strain K12) | Pathogen | PF00298 PF03946 | 6.0 | IC50 | ChEMBL |
| P0A7K2 | rplL | Escherichia coli (strain K12) | Pathogen | PF00542 PF16320 | 6.0 | IC50 | ChEMBL |
| P0A7K6 | rplS | Escherichia coli (strain K12) | Pathogen | PF01245 | 6.0 | IC50 | ChEMBL |
| P0A7L0 | rplA | Escherichia coli (strain K12) | Pathogen | PF00687 | 6.0 | IC50 | ChEMBL |
| P0A7L3 | rplT | Escherichia coli (strain K12) | Pathogen | PF00453 | 6.0 | IC50 | ChEMBL |
| P0A7L8 | rpmA | Escherichia coli (strain K12) | Pathogen | PF01016 | 6.0 | IC50 | ChEMBL |
| P0A7M2 | rpmB | Escherichia coli (strain K12) | Pathogen | PF00830 | 6.0 | IC50 | ChEMBL |
| P0A7M6 | rpmC | Escherichia coli (strain K12) | Pathogen | PF00831 | 6.0 | IC50 | ChEMBL |
| P0A7M9 | rpmE | Escherichia coli (strain K12) | Pathogen | PF01197 | 6.0 | IC50 | ChEMBL |
| P0A7N1 | ykgM | Escherichia coli (strain K12) | Pathogen | PF01197 | 6.0 | IC50 | ChEMBL |
| P0A7N4 | rpmF | Escherichia coli (strain K12) | Pathogen | PF01783 | 6.0 | IC50 | ChEMBL |
| P0A7N9 | rpmG | Escherichia coli (strain K12) | Pathogen | PF00471 | 6.0 | IC50 | ChEMBL |
| P0A7P5 | rpmH | Escherichia coli (strain K12) | Pathogen | PF00468 | 6.0 | IC50 | ChEMBL |
| P0A7Q1 | rpmI | Escherichia coli (strain K12) | Pathogen | PF01632 | 6.0 | IC50 | ChEMBL |
| P0A7Q6 | rpmJ | Escherichia coli (strain K12) | Pathogen | PF00444 | 6.0 | IC50 | ChEMBL |
| P0A7R5 | rpsJ | Escherichia coli (strain K12) | Pathogen | PF00338 | 6.0 | IC50 | ChEMBL |
| P0A7R9 | rpsK | Escherichia coli (strain K12) | Pathogen | PF00411 | 6.0 | IC50 | ChEMBL |
| P0A7S3 | rpsL | Escherichia coli (strain K12) | Pathogen | PF00164 | 6.0 | IC50 | ChEMBL |
| P0A7S9 | rpsM | Escherichia coli (strain K12) | Pathogen | PF00416 | 6.0 | IC50 | ChEMBL |
| P0A7T3 | rpsP | Escherichia coli (strain K12) | Pathogen | PF00886 | 6.0 | IC50 | ChEMBL |
| P0A7T7 | rpsR | Escherichia coli (strain K12) | Pathogen | PF01084 | 6.0 | IC50 | ChEMBL |
| P0A7U3 | rpsS | Escherichia coli (strain K12) | Pathogen | PF00203 | 6.0 | IC50 | ChEMBL |
| P0A7U7 | rpsT | Escherichia coli (strain K12) | Pathogen | PF01649 | 6.0 | IC50 | ChEMBL |
| P0A7V0 | rpsB | Escherichia coli (strain K12) | Pathogen | PF00318 | 6.0 | IC50 | ChEMBL |
| P0A7V3 | rpsC | Escherichia coli (strain K12) | Pathogen | PF07650 PF00189 | 6.0 | IC50 | ChEMBL |
| P0A7V8 | rpsD | Escherichia coli (strain K12) | Pathogen | PF00163 PF01479 | 6.0 | IC50 | ChEMBL |
| P0A7W1 | rpsE | Escherichia coli (strain K12) | Pathogen | PF00333 PF03719 | 6.0 | IC50 | ChEMBL |
| P0A7W7 | rpsH | Escherichia coli (strain K12) | Pathogen | PF00410 | 6.0 | IC50 | ChEMBL |
| P0A7X3 | rpsI | Escherichia coli (strain K12) | Pathogen | PF00380 | 6.0 | IC50 | ChEMBL |
| P0AA10 | rplM | Escherichia coli (strain K12) | Pathogen | PF00572 | 6.0 | IC50 | ChEMBL |
| P0ADY3 | rplN | Escherichia coli (strain K12) | Pathogen | PF00238 | 6.0 | IC50 | ChEMBL |
| P0ADY7 | rplP | Escherichia coli (strain K12) | Pathogen | PF00252 | 6.0 | IC50 | ChEMBL |
| P0ADZ0 | rplW | Escherichia coli (strain K12) | Pathogen | PF00276 | 6.0 | IC50 | ChEMBL |
| P0ADZ4 | rpsO | Escherichia coli (strain K12) | Pathogen | PF00312 | 6.0 | IC50 | ChEMBL |
| P0AG44 | rplQ | Escherichia coli (strain K12) | Pathogen | PF01196 | 6.0 | IC50 | ChEMBL |
| P0AG48 | rplU | Escherichia coli (strain K12) | Pathogen | PF00829 | 6.0 | IC50 | ChEMBL |
| P0AG51 | rpmD | Escherichia coli (strain K12) | Pathogen | PF00327 | 6.0 | IC50 | ChEMBL |
| P0AG55 | rplF | Escherichia coli (strain K12) | Pathogen | PF00347 | 6.0 | IC50 | ChEMBL |
| P0AG59 | rpsN | Escherichia coli (strain K12) | Pathogen | PF00253 | 6.0 | IC50 | ChEMBL |
| P0AG63 | rpsQ | Escherichia coli (strain K12) | Pathogen | PF00366 | 6.0 | IC50 | ChEMBL |
| P0AG67 | rpsA | Escherichia coli (strain K12) | Pathogen | PF00575 | 6.0 | IC50 | ChEMBL |
| P0C018 | rplR | Escherichia coli (strain K12) | Pathogen | PF00861 | 6.0 | IC50 | ChEMBL |
| P60422 | rplB | Escherichia coli (strain K12) | Pathogen | PF03947 PF00181 | 6.0 | IC50 | ChEMBL |
| P60438 | rplC | Escherichia coli (strain K12) | Pathogen | PF00297 | 6.0 | IC50 | ChEMBL |
| P60624 | rplX | Escherichia coli (strain K12) | Pathogen | PF00467 PF17136 | 6.0 | IC50 | ChEMBL |
| P60723 | rplD | Escherichia coli (strain K12) | Pathogen | PF00573 | 6.0 | IC50 | ChEMBL |
| P61175 | rplV | Escherichia coli (strain K12) | Pathogen | PF00237 | 6.0 | IC50 | ChEMBL |
| P62399 | rplE | Escherichia coli (strain K12) | Pathogen | PF00281 PF00673 | 6.0 | IC50 | ChEMBL |
| P68679 | rpsU | Escherichia coli (strain K12) | Pathogen | PF01165 | 6.0 | IC50 | ChEMBL |
| P68919 | rplY | Escherichia coli (strain K12) | Pathogen | PF01386 | 6.0 | IC50 | ChEMBL |
| Q2EEQ2 | ykgO | Escherichia coli (strain K12) | Pathogen | PF00444 | 6.0 | IC50 | ChEMBL |