CHEMBL266643
SMILES | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O |
InChIKey | AUPQOJCSCYBFTO-LWBAHHHCSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 11 |
Rotatable bonds | 17 |
Molecular weight (Da) | 1091.5 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
V1A | V1AR | Rat | Vasopressin and oxytocin | A | pKd | 8.06 | 8.06 | 8.06 | ChEMBL |
V2 | V2R | Rat | Vasopressin and oxytocin | A | pKd | 8.07 | 8.07 | 8.07 | ChEMBL |
OT | OXYR | Rat | Vasopressin and oxytocin | A | pKd | 7.74 | 8.02 | 8.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |