ATC0065


SMILES Brc1ccc(c(c1)OC(F)(F)F)CCN[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C
InChIKey FWKVXHBRMCTKHZ-KDURUIRLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 551.2

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
V1A V1AR Human Vasopressin and oxytocin A pKi 7.0 7.88 7.7 Guide to Pharmacology
V1B V1BR Human Vasopressin and oxytocin A pKi 7.7 8.38 9.4 Guide to Pharmacology
V2 V2R Human Vasopressin and oxytocin A pKi 7.2 8.1 8.6 Guide to Pharmacology
OT OXYR Human Vasopressin and oxytocin A pKi 6.7 7.73 7.6 Guide to Pharmacology
V1B V1BR Rat Vasopressin and oxytocin A pKi 8.0 8.0 8.0 Guide to Pharmacology
V1A V1AR Rat Vasopressin and oxytocin A pKi 5.6 5.6 5.6 Guide to Pharmacology
V2 V2R Rat Vasopressin and oxytocin A pKi 8.7 8.7 8.7 Guide to Pharmacology
V2 V2R Rat Vasopressin and oxytocin A pKi 9.52 9.52 9.52 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.24 8.24 8.24 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 7.63 7.63 7.63 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.21 7.21 7.21 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Rat Vasopressin and oxytocin A pEC50 10.52 10.52 10.52 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pEC50 7.96 7.96 7.96 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 9.7 9.7 9.7 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 6.96 7.05 7.14 ChEMBL