Molecule Details
| InChIKey | KMMZNLFAOHLXKG-NXKLTUDVSA-N |
|---|---|
| Compound Name | 2-Cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione |
| Canonical SMILES | COc1ccc(CC[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](C3CCCCC3)c3cc(OC)c(OC)c(c3)OC[C@@H](O)[C@H](O)COc3cccc2c3)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.56 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13451 | FKBP5 | Homo sapiens | Human | PF00254 PF00515 PF13181 | 8.2 | Kd | ChEMBL;BindingDB |
| P68106 | FKBP1B | Homo sapiens | Human | PF00254 | 8.1 | Kd | ChEMBL;BindingDB |
| P62942 | FKBP1A | Homo sapiens | Human | PF00254 | 7.7 | Kd | ChEMBL;BindingDB |
| Q02790 | FKBP4 | Homo sapiens | Human | PF00254 PF00515 PF07719 | 6.3 | Kd | ChEMBL;BindingDB |