Molecule Details
| InChIKey | HTIQEAQVCYTUBX-UHFFFAOYSA-N |
|---|---|
| Compound Name | Amlodipine |
| Canonical SMILES | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.47 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00381 |
|---|---|
| Drug Name | Amlodipine |
| CAS Number | 88150-42-9 |
| Groups | approved investigational |
| ATC Codes | C09BB13 C09BB04 C10BX18 C07FB12 C09DB05 C09XA53 C10BX03 C09BX04 C09DB07 C09DX06 C09BX01 C10BX11 C09DB02 C10BX09 C09DX01 C10BX19 C09DB01 C09XA54 C10BX07 C09BB03 C07FB07 C09DB06 C07FB13 C09DX08 C08CA01 C09BX06 C09BX03 C09DB04 C09DX03 C08GA02 C08CA51 C09DB09 C10BX14 C09BB07 C09DX07 |
| Description | Amlodipine, initially approved by the FDA in 1987, is a popular antihypertensive drug belonging to the group of drugs called _dihydropyridine calcium channel blockers_. Due to their selectivity for the peripheral blood vessels, dihydropyridine calcium channel blockers are associated with a lower inc... |
Categories: ACE Inhibitors and Calcium Channel Blockers Agents causing hyperkalemia Angiotensin II Antagonists and Calcium Channel Blockers Angiotensin II receptor blockers (ARBs) and calcium channel blockers Antianginal Agents Antiarrhythmic agents Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Bradycardia-Causing Agents Calcium Channel Blockers Calcium Channel Blockers (Dihydropyridine) Calcium Channel Blockers and Diuretics Calcium-Regulating Hormones and Agents Cardiovascular Agents Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (weak) Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dihydropyridine Derivatives Dihydropyridines Hypotensive Agents Membrane Transport Modulators P-glycoprotein inhibitors P-glycoprotein substrates Pyridines Selective Calcium Channel Blockers With Mainly Vascular Effects Vasodilating Agents
Cross-references: BindingDB: 50088383 ChEBI: 2668 CHEMBL1491 ChemSpider: 2077 Drugs Product Database (DPD): 11344 C06825 D07450 PharmGKB: PA448388 PubChem:2162 PubChem:46507214 RxCUI: 17767 Therapeutic Targets Database: DAP000139 Wikipedia: Amlodipine
Target Activities (3)
DrugBank Target Actions (22)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P54289 | CACNA2D1 | Voltage-dependent calcium channel subunit alpha-2/delta-1 | blocker | targets |
| P00915 | CA1 | Carbonic anhydrase 1 | inhibitor | targets |
| P17405 | P17405 | Sphingomyelin phosphodiesterase | inhibitor | targets |
| P54289 | CACNA2D1 | Voltage-dependent N-type calcium channel | inhibitor | targets |
| Q00975 | CACNA1B | Voltage-dependent N-type calcium channel subunit alpha-1B | inhibitor | targets |
| Q02641 | CACNB1 | Voltage-dependent L-type calcium channel subunit beta-1 | inhibitor | targets |
| Q13936 | CACNA1C | Voltage-dependent L-type calcium channel subunit alpha-1C | inhibitor | targets |
| Q8IZS8 | CACNA2D3 | Voltage-dependent calcium channel subunit alpha-2/delta-3 | inhibitor | targets |
| Q9P0X4 | CACNA1I | Voltage-dependent T-type calcium channel subunit alpha-1I | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |