CHEMBL385739


SMILES N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey JTUSVVYBCYZYRH-NXBWRCJVSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 14
Rotatable bonds 18
Molecular weight (Da) 1040.4

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
V1B V1BR Rat Vasopressin and oxytocin A pKi 9.72 9.72 9.72 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 8.74 8.74 8.74 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.71 6.71 6.71 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database