CHEMBL3763342


SMILES Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1
InChIKey HWPGRFRXZNLZEX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 581.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Mouse Vasopressin and oxytocin A pKi 7.29 7.29 7.29 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.01 6.93 7.52 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.95 7.39 7.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Mouse Vasopressin and oxytocin A pEC50 7.11 7.33 7.54 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 6.05 6.95 8.52 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 5.64 5.64 5.64 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 6.21 6.86 8.15 ChEMBL