Chembl339124
Chemical Properties
| SMILES | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCC#N)C2 |
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight | 512.3 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | No |
| InChIKey | WNJBAMXXDDUSRG-XFSSTXOUSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
| OT | OXYR | Rat | Vasopressin and oxytocin | A | pIC50 | 7.34 | 7.34 | 7.34 | ChEMBL |