Molecule Details
| InChIKey | OGHNVEJMJSYVRP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Carvedilol |
| Canonical SMILES | COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 18 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01136 |
|---|---|
| Drug Name | Carvedilol |
| CAS Number | 72956-09-3 |
| Groups | approved investigational |
| ATC Codes | C07AG02 C07FX06 |
| Description | Carvedilol is a racemic mixture where the S(-) enantiomer is both a beta and alpha-1 adrenoceptor blocker, and the R(+) enantiomer is an alpha-1 adrenoceptor blocker.[L7889,L7892] It is currently used to treat heart failure, left ventricular dysfunction, and hypertension.[L7889,L7892] The dual actio... |
Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Adrenergic beta-1 Receptor Antagonists Adrenergic beta-Antagonists Adrenergic beta2-Antagonists Agents causing hyperkalemia Alcohols Alpha and Beta Blocking Agents Amines Amino Alcohols Antiarrhythmic agents Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Antioxidants Biological Factors Bradycardia-Causing Agents Calcium Channel Blockers Calcium-Regulating Hormones and Agents Carbazoles Cardiovascular Agents Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Hypotensive Agents Indoles Membrane Transport Modulators Negative Inotrope Neurotransmitter Agents P-glycoprotein inhibitors Propanolamines Propanols Protective Agents UGT1A1 Substrates UGT2B7 substrates Vasodilating Agents
Cross-references: BindingDB: 25759 ChEBI: 3441 CHEMBL723 ChemSpider: 2487 Drugs Product Database (DPD): 1188 Guide to Pharmacology: 551 IUPHAR: 551 C06875 D00255 PharmGKB: PA448817 PubChem:2585 PubChem:46505146 RxCUI: 20352 Therapeutic Targets Database: DAP000135 Wikipedia: Carvedilol
Target Activities (18)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 9.7 | Kd | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 9.3 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 8.9 | IC50 | ChEMBL |
| P13945 | ADRB3 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.7 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.8 | IC50 | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.5 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.3 | IC50 | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (30)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P47989 | XDH | Xanthine dehydrogenase/oxidase | inhibitor | enzymes |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P06133 | P06133 | UDP-glucuronosyltransferase 2B4 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | antagonist | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | antagonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | antagonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | antagonist | targets |
| P18825 | ADRA2C | Alpha-2C adrenergic receptor | antagonist | targets |
| P25100 | ADRA1D | Alpha-1D adrenergic receptor | antagonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | antagonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | antagonist | targets |
| O95298 | NDUFC2 | NADH dehydrogenase [ubiquinone] 1 subunit C2 | inhibitor | targets |
| P15692 | VEGFA | Vascular endothelial growth factor A, long form | inhibitor | targets |
| P16581 | SELE | E-selectin | inhibitor | targets |
| P19320 | VCAM1 | Vascular cell adhesion protein 1 | inhibitor | targets |
| P48050 | P48050 | Inward rectifier potassium channel 4 | inhibitor | targets |
| P63252 | P63252 | Inward rectifier potassium channel 2 | inhibitor | targets |
| Q12809 | KCNH2 | Voltage-gated inwardly rectifying potassium channel KCNH2 | inhibitor | targets |
| Q16665 | HIF1A | Hypoxia-inducible factor 1-alpha | modulator | targets |
| P16860 | P16860 | Natriuretic peptides B | other | targets |
| P17302 | P17302 | Gap junction alpha-1 protein | other | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |