CHEMBL5594994


SMILES Clc1ccc2c(c1)CC1(Cc3nnc([C@H]4CC[C@H](Oc5ccccn5)CC4)n3-2)OCCO1
InChIKey LFXCGLFTXRJJLT-RUCARUNLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 452.2

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 Mouse Vasopressin and oxytocin A pKi 8.96 8.96 8.96 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.79 7.79 7.79 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 7.4 7.4 7.4 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 6.67 6.67 6.67 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 9.05 9.05 9.05 ChEMBL