CHEMBL2112248
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O |
InChIKey | KHZMWMBLYZHOQJ-KXQLWDMUSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Protein |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
OT | OXYR | Human | Vasopressin and oxytocin | A | pKi | 8.64 | 8.77 | 8.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |