Molecule Details
| InChIKey | GJMNAFGEUJBOCE-MEQIQULJSA-N |
|---|---|
| Compound Name | Asoprisnil |
| Canonical SMILES | COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.81 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06680 |
|---|---|
| Drug Name | Asoprisnil |
| CAS Number | 199396-76-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Asoprisnil (J867) is a selective progesterone receptor modulator. It can be used to treat progesterone sensitive myomata. |
Categories: Amines Estranes Fused-Ring Compounds Hydroxylamines Steroids
Cross-references: CHEMBL267431 ChemSpider: 7851660 PDB: AS0 Wikipedia: Asoprisnil ZINC: ZINC000003936191
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5VT25 | CDC42BPA | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433 | 9.7 | pIC50 | TTD_MultiTarget |
| P06401 | PGR | Homo sapiens | Human | PF00104 PF02161 PF00105 | 9.5 | IC50 | ChEMBL |
| P10275 | AR | Homo sapiens | Human | PF02166 PF00104 PF00105 | 8.1 | IC50 | ChEMBL |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 7.0 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 9.7 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P06401 | PGR | Progesterone receptor | modulator | targets |