Molecule Details
| InChIKey | OPPYDCXBDREGJT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-Methyl-5-[5-methyl-2-oxo-5-(3-thienyl)-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl]-1H-pyrrole-2-carbonitrile |
| Canonical SMILES | Cn1c(C#N)ccc1-c1ccc2c(c1)C(C)(c1ccsc1)OCC(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 8.5 | IC50 | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.9 | IC50 | ChEMBL;BindingDB |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 6.5 | IC50 | ChEMBL;BindingDB |
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 6.4 | IC50 | ChEMBL;BindingDB |