(R)-Carvedilol


SMILES COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
InChIKey OGHNVEJMJSYVRP-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 406.2

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
β1 ADRB1 Mouse Adrenoceptors A pKi 8.47 8.47 8.47 ChEMBL
OX1 OX1R Human Orexin A pKi 5.89 5.89 5.89 ChEMBL
OX2 OX2R Human Orexin A pKi 5.85 5.85 5.85 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.06 9.06 9.06 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.64 5.64 5.64 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.05 6.05 6.05 ChEMBL