CHEMBL4128839


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIKey NKSOIRAZKJHNSQ-SXXMFYQFSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 17
Molecular weight (Da) 1081.5

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 5.71 5.71 5.71 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.85 6.85 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pEC50 5.43 5.43 5.43 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.1 5.1 5.1 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pEC50 5.65 5.65 5.65 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 6.96 6.96 6.96 ChEMBL