BARETTIN


SMILES N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2c[nH]c3cc(Br)ccc23)NC1=O
InChIKey YYFNNPXWRXQUPR-JVXNRYDGSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 6
Rotatable bonds 5
Molecular weight (Da) 418.1

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
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 5.72 5.72 5.72 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.47 6.47 6.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.71 5.71 5.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database