AVP


SMILES C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
InChIKey KBZOIRJILGZLEJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 14
Rotatable bonds 19
Molecular weight (Da) 1083.4

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 9.64 9.64 9.64 PDSP Ki database
V2 V2R Rat Vasopressin and oxytocin A pKi 8.49 8.95 9.34 PDSP Ki database
OT OXYR Rat Vasopressin and oxytocin A pKi 8.47 8.47 8.47 PDSP Ki database
V1A V1AR Human Vasopressin and oxytocin A pKi 9.08 9.08 9.08 PDSP Ki database
V1B V1BR Human Vasopressin and oxytocin A pKi 9.23 9.23 9.23 PDSP Ki database
V2 V2R Human Vasopressin and oxytocin A pKi 8.68 8.89 9.11 PDSP Ki database
V1B V1BR Human Vasopressin and oxytocin A pKi 8.03 8.03 8.03 Drug Central
V2 V2R Human Vasopressin and oxytocin A pKi 8.05 8.05 8.05 Drug Central
OT OXYR Human Vasopressin and oxytocin A pKi 8.06 8.06 8.06 Drug Central
V1B V1BR Rat Vasopressin and oxytocin A pKi 8.02 8.02 8.02 Drug Central
V2 V2R Bovine Vasopressin and oxytocin A pKd 8.05 8.05 8.05 Drug Central
V1A V1AR Rat Vasopressin and oxytocin A pKd 8.04 8.04 8.04 Drug Central
V2 V2R Rat Vasopressin and oxytocin A pKi 8.03 8.03 8.03 Drug Central
OT OXYR Rat Vasopressin and oxytocin A pKi 8.05 8.05 8.05 Drug Central
V1A V1AR Human Vasopressin and oxytocin A pKi 8.02 8.02 8.02 Drug Central
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.84 9.0 9.21 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Pig Vasopressin and oxytocin A pIC50 8.07 8.07 8.07 Drug Central