Chembl4538696


SMILES COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1
InChIKey NDIURTOKKQLXTG-FPTDNZKUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 461.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pIC50 4.61 4.61 4.61 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 4.67 4.67 4.67 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pIC50 7.36 7.36 7.36 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 6.09 6.09 6.09 ChEMBL