CHEMBL2017868


SMILES CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1
InChIKey ZJWAEMNLDJQLSS-TVPGTPATSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 707.2

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 Human Vasopressin and oxytocin A pKi 5.02 5.02 5.02 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.24 6.24 6.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.28 6.28 6.28 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database