CHEMBL572709


SMILES COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCC3CCCCC3)CC2)c(OC)c1
InChIKey XQDRFXUPGZPPOW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 619.3

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 6.06 7.18 7.8 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.43 5.57 5.72 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 6.68 7.14 7.36 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 5.26 5.88 6.5 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.25 6.11 6.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database