carvedilol


SMILES COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O
InChIKey OGHNVEJMJSYVRP-UHFFFAOYSA-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 Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 8.4 8.4 8.4 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKi 8.8 9.15 9.5 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 9.4 9.65 9.9 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 8.3 8.85 9.4 Guide to Pharmacology
β1 ADRB1 Rat Adrenoceptors A pKi 9.09 9.09 9.09 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 6.74 6.74 6.74 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.89 7.89 7.89 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 8.51 8.51 8.51 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 9.99 9.99 9.99 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.48 8.49 8.5 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.4 7.4 7.4 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.13 6.13 6.13 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.82 7.82 7.82 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.22 7.22 7.22 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.78 9.78 9.78 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.71 9.71 9.71 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.71 6.71 6.71 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.93 6.93 6.93 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 8.77 8.77 8.77 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.96 8.96 8.96 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 6.61 6.61 6.61 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.06 8.06 8.06 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.04 8.04 8.04 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.02 8.02 8.02 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.0 8.0 8.0 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.03 8.03 8.03 Drug Central
D1 DRD1 Human Dopamine A pKi 8.21 8.21 8.21 Drug Central
D2 DRD2 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
D3 DRD3 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.06 8.06 8.06 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
β1 ADRB1 Rat Adrenoceptors A pKi 8.04 8.04 8.04 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 9.05 9.05 9.05 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.37 7.37 7.37 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.31 7.31 7.31 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 8.71 8.71 8.71 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.5 8.5 8.5 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.23 6.23 6.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 5.96 5.96 5.96 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 7.05 7.05 7.05 ChEMBL
β3 ADRB3 Human Adrenoceptors A pIC50 8.38 8.38 8.38 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 9.75 9.75 9.75 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.23 8.23 8.23 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.97 6.97 6.97 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.82 5.82 5.82 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.82 5.82 5.82 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.64 7.64 7.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.94 6.94 6.94 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 9.62 9.62 9.62 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.24 6.24 6.24 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.39 6.39 6.39 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.09 8.09 8.09 Drug Central
α1D ADA1D Human Adrenoceptors A pIC50 8.75 8.75 8.75 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.03 7.03 7.03 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.84 6.84 6.84 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 8.45 8.45 8.45 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.11 8.11 8.11 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 5.89 5.89 5.89 ChEMBL