CHEMBL3763823


SMILES Cn1ncc2c1Nc1ccccc1N(C(=O)CCCCCCCN1CCN(Cc3cc(O)cc(O)c3)CC1)C2
InChIKey PBYCSFCOYVZDBM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 532.3

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 5.08 5.08 5.08 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.19 7.19 7.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.33 5.33 5.33 ChEMBL