CHEMBL1790712


SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O
InChIKey MRGPBAZYRUEDDT-PTPRNMFZSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 13
Rotatable bonds 16
Molecular weight (Da) 1125.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pKi 8.41 8.41 8.41 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.03 6.03 6.03 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 9.68 9.68 9.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database