MSD-CYP11B2


SMILES CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIKey OAMLIJKKGZLNHE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 311.1

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
α2B ADA2B Human Adrenoceptors A pKi 5.67 5.8 5.84 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.26 5.53 5.63 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.47 5.72 5.81 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pIC50 5.33 5.33 5.33 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 5.02 5.02 5.02 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.27 5.27 5.27 ChEMBL