OPC-21268


SMILES CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2
InChIKey KSNUCNRMDYJBKT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 449.2

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
V1A V1AR Human Vasopressin and oxytocin A pKi 5.1 5.1 5.1 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 4.5 4.5 4.5 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 6.8 6.8 6.8 Guide to Pharmacology
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.5 7.55 7.63 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKi 6.64 6.64 6.64 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.77 6.77 6.77 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 4.28 4.97 6.46 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.63 7.73 7.83 PDSP Ki database
V1B V1BR Rat Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
V2 V2R Rat Vasopressin and oxytocin A pKi 5.0 5.0 5.0 PDSP Ki database
OT OXYR Rat Vasopressin and oxytocin A pKi 6.48 6.48 6.48 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.36 6.36 6.36 ChEMBL