CHEMBL245072


SMILES O=C(NCc1cccc(C(F)(F)F)c1)[C@H](CC(=O)N1CCCN(Cc2ccccc2)CC1)N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1/C=C/c1ccccc1
InChIKey AACVFPBDJIZOLP-CCGNRUJASA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 779.3

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
V1A V1AR Human Vasopressin and oxytocin A pKi 8.29 8.29 8.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database