Molecule Details
| InChIKey | DQVDXXLRESFSRM-ZYRCWTSVSA-N |
|---|---|
| Compound Name | (1R,2S,5S,8R,9R,10S,11R,18R)-10,18-dihydroxy-12,12-dimethyl-6-methylidene-9-(1,3-thiazol-5-ylmethoxy)-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-14-en-7-one |
| Canonical SMILES | C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@]12C=CCC(C)(C)[C@H]1[C@H](O)[C@@]3(OCc1cncs1)OC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.12 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 8.5 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 8.4 | IC50 | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 8.3 | IC50 | ChEMBL |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 7.9 | IC50 | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | ChEMBL |