CHEMBL52813
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O |
InChIKey | HXGGOWUTOKFJEM-NSTWBPGMSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Protein |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKi | 4.48 | 4.48 | 4.48 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pIC50 | 5.48 | 5.48 | 5.48 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 4.09 | 4.09 | 4.09 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |