CHEMBL412742


SMILES NCC[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 DPVYQFBOSXXNLG-CXWHUAPYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 11
Rotatable bonds 16
Molecular weight (Da) 1037.4

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 9.1 9.1 9.1 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.36 5.36 5.36 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKi 6.35 6.35 6.35 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.37 6.37 6.37 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKd 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database