CHEMBL2113189


SMILES CN(C)CCCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)NC(=O)c3ccccc32)c2ccc(Cl)cc2)cc1
InChIKey SBYOJGQINPGOFZ-FSRJSHLRSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 597.1

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
OT OXYR Rat Vasopressin and oxytocin A pKi 8.57 8.57 8.57 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.8 8.8 8.8 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 7.82 7.82 7.82 ChEMBL