CHEMBL221485


SMILES NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChIKey RJWLIPGRNZUUNS-OAKHNGAUSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 18
Molecular weight (Da) 1065.5

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
V1B V1BR Rat Vasopressin and oxytocin A pKi 8.72 8.72 8.72 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.04 5.04 5.04 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 6.22 6.22 6.22 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.23 6.23 6.23 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKd 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database