CHEMBL1643584


SMILES CCCCNCc1ccc(-c2nc(CN(C3CCCC3)S(=O)(=O)c3ccc(OC)cc3)cs2)cc1
InChIKey CTGVOLFEVRPTNS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 513.2

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 Human Vasopressin and oxytocin A pKi 6.8 6.8 6.8 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 5.3 5.3 5.3 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database