Molecule Details
| InChIKey | WGHJKYWWSVIRLL-JYFHCDHNSA-N |
|---|---|
| Compound Name | (3s,4s)-4-({[4-Methoxy-3-(3-Methoxypropoxy)benzoyl](Propan-2-Yl)amino}methyl)pyrrolidin-3-Yl Benzylcarbamate |
| Canonical SMILES | COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OC(=O)NCc2ccccc2)C(C)C)ccc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.24 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00797 | REN | Homo sapiens | Human | PF07966 PF00026 | 7.4 | IC50 | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q13370 | PDE3B | Homo sapiens | Human | PF00233 | 6.0 | IC50 | ChEMBL |
| Q14432 | PDE3A | Homo sapiens | Human | PF00233 | 6.0 | IC50 | ChEMBL |