CHEMBL594828


SMILES COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1
InChIKey HNIFCPBQMKPRCX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 419.1

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
OT OXYR Human Vasopressin and oxytocin A pKi 8.02 8.02 8.02 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 5.95 5.95 5.95 ChEMBL
ghrelin GHSR Human Ghrelin A pKi 5.36 5.36 5.36 ChEMBL
NK1 NK1R Human Tachykinin A pKi 5.19 5.19 5.19 ChEMBL
κ OPRK Human Opioid A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 6.22 7.02 7.63 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 5.58 5.7 5.82 ChEMBL