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CHEBI:39548 - atorvastatin
| Formula | C33H35FN2O5 |
| Net Charge | 0 |
| Average Mass | 558.650 |
| Monoisotopic Mass | 558.25300 |
| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O |
| InChI | InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 |
| InChIKey | XUKUURHRXDUEBC-KAYWLYCHSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. anti-obesity agent Any substance which is used to reduce or control weight. antiviral agent A substance that destroys or inhibits replication of viruses. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme. |
| Applications: | anti-asthmatic agent Any compound that has anti-asthmatic effects. anticholesteremic drug A substance used to lower plasma cholesterol levels. anti-inflammatory agent Any compound that has anti-inflammatory effects. hepatoprotective agent Any compound that is able to prevent damage to the liver. trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. antiatherosclerotic agent A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent. anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. anticonvulsant A drug used to prevent seizures or reduce their severity. renoprotective agent Any compound that is able to prevent damage to the kidneys. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. antirheumatic drug A drug used to treat rheumatoid arthritis. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. hypoglycemic agent A drug which lowers the blood glucose level. antipsoriatic A drug used to treat psoriasis. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. anticholesteremic drug A substance used to lower plasma cholesterol levels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| atorvastatin (CHEBI:39548) has functional parent heptanoic acid (CHEBI:45571) |
| atorvastatin (CHEBI:39548) has role anti-anaemic agent (CHEBI:75835) |
| atorvastatin (CHEBI:39548) has role anti-arrhythmia drug (CHEBI:38070) |
| atorvastatin (CHEBI:39548) has role anti-asthmatic agent (CHEBI:65023) |
| atorvastatin (CHEBI:39548) has role anti-HIV agent (CHEBI:64946) |
| atorvastatin (CHEBI:39548) has role anti-inflammatory agent (CHEBI:67079) |
| atorvastatin (CHEBI:39548) has role anti-obesity agent (CHEBI:74518) |
| atorvastatin (CHEBI:39548) has role antiatherosclerotic agent (CHEBI:145947) |
| atorvastatin (CHEBI:39548) has role antibacterial agent (CHEBI:33282) |
| atorvastatin (CHEBI:39548) has role anticholesteremic drug (CHEBI:35821) |
| atorvastatin (CHEBI:39548) has role anticonvulsant (CHEBI:35623) |
| atorvastatin (CHEBI:39548) has role antidepressant (CHEBI:35469) |
| atorvastatin (CHEBI:39548) has role antihypertensive agent (CHEBI:35674) |
| atorvastatin (CHEBI:39548) has role antineoplastic agent (CHEBI:35610) |
| atorvastatin (CHEBI:39548) has role antipsoriatic (CHEBI:50748) |
| atorvastatin (CHEBI:39548) has role antirheumatic drug (CHEBI:35842) |
| atorvastatin (CHEBI:39548) has role antitubercular agent (CHEBI:33231) |
| atorvastatin (CHEBI:39548) has role antiviral agent (CHEBI:22587) |
| atorvastatin (CHEBI:39548) has role cardiovascular drug (CHEBI:35554) |
| atorvastatin (CHEBI:39548) has role environmental contaminant (CHEBI:78298) |
| atorvastatin (CHEBI:39548) has role hepatoprotective agent (CHEBI:62868) |
| atorvastatin (CHEBI:39548) has role hypoglycemic agent (CHEBI:35526) |
| atorvastatin (CHEBI:39548) has role immunosuppressive agent (CHEBI:35705) |
| atorvastatin (CHEBI:39548) has role ophthalmology drug (CHEBI:66981) |
| atorvastatin (CHEBI:39548) has role renoprotective agent (CHEBI:231911) |
| atorvastatin (CHEBI:39548) has role trypanocidal drug (CHEBI:36335) |
| atorvastatin (CHEBI:39548) has role xenobiotic (CHEBI:35703) |
| atorvastatin (CHEBI:39548) is a aromatic amide (CHEBI:62733) |
| atorvastatin (CHEBI:39548) is a dihydroxy monocarboxylic acid (CHEBI:35972) |
| atorvastatin (CHEBI:39548) is a monofluorobenzenes (CHEBI:83575) |
| atorvastatin (CHEBI:39548) is a pyrroles (CHEBI:26455) |
| atorvastatin (CHEBI:39548) is a statin (synthetic) (CHEBI:87635) |
| atorvastatin (CHEBI:39548) is conjugate acid of atorvastatin(1−) (CHEBI:50690) |
| Incoming Relation(s) |
| atorvastatin(1−) (CHEBI:50690) is conjugate base of atorvastatin (CHEBI:39548) |
| IUPAC Name |
|---|
| (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
| INNs | Source |
|---|---|
| atorvastatin | ChemIDplus |
| atorvastatina | ChEBI |
| atorvastatine | ChEBI |
| atorvastatinum | ChEBI |
| Synonyms | Source |
|---|---|
| 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID | PDBeChem |
| Atorvastatin | KEGG COMPOUND |
| (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid | ChemIDplus |
| Brand Names | Source |
|---|---|
| Atorlip | ChEBI |
| Atorpic | DrugBank |
| Liprimar | DrugBank |
| Prevencor | ChEMBL |
| Tahor | ChEMBL |
| Zarator | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 117 | PDBeChem |
| 257 | DrugCentral |
| Atorvastatin | Wikipedia |
| C06834 | KEGG COMPOUND |
| D07474 | KEGG DRUG |
| DB01076 | DrugBank |
| EP409281 | Patent |
| HMDB0005006 | HMDB |
| LSM-5771 | LINCS |
| US5273995 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8373630 | Reaxys |
| Beilstein:8373630 | Beilstein |
| CAS:134523-00-5 | ChemIDplus |
| CAS:134523-00-5 | KEGG COMPOUND |
| Citations |
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