L023103


SMILES CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C
InChIKey BUKWNCANUKACAQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 14
Molecular weight (Da) 624.2

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
OT OXYR Human Vasopressin and oxytocin A pKi 7.6 7.6 7.6 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 7.21 7.21 7.21 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Rat Vasopressin and oxytocin A pIC50 4.77 4.77 4.77 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 7.28 7.28 7.28 ChEMBL