Compound Detail
CHEMBL503
LOVASTATIN 💊 Approved Drug
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💊 Approved Drug
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
Basic Information
| ChEMBL ID | CHEMBL503 |
| Name | LOVASTATIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PCZOHLXUXFIOCF-BXMDZJJMSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL1201373 |
32
Targets
95
Activities
4
Assay Types
14
PK Parameters
20
Publications
19
Known Names
20
Indications
1
Mechanisms
Molecular Properties
404.6
MW (Da)
4.20
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1987 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| HMG-CoA reductase inhibitor | INHIBITOR | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | ✓ | ✓ |
Indications
Atherosclerosis Cardiovascular Diseases Coronary Artery Disease Coronary Disease Hypercholesterolemia Heart Diseases Intermittent Claudication Lipid Metabolism Disorders Myocardial Ischemia Peripheral Vascular Diseases Arthritis, Rheumatoid Breast Neoplasms Carotid Stenosis Cerebrovascular Disorders Cognitive Dysfunction Fragile X Syndrome HIV Infections Intracranial Arteriosclerosis Intracranial Arteriovenous Malformations Learning Disabilities
ATC Classification
C10AA02
lovastatin
Level 1: CARDIOVASCULAR SYSTEM
Level 2: LIPID MODIFYING AGENTS
Activity Summary
IC50 77 meas. best 8.7
Ki 16 meas. best 9.22
EC50 1 meas. best 5.74
Kd 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL402 | IC50 | 8.7 | 7.2454 | 2.0 | 13 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL3247 | IC50 | 8.66 | 7.7223 | 2.2 | 13 |
| HES CHEMBL614662 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase CHEMBL2764 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 7.54 | 6.5733 | 29.0 | 3 |
| Cholinesterase CHEMBL5763 | Ki | 5.96 | 5.63 | 1100.0 | 2 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.74 | 5.74 | 1820.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.66 | 5.085 | 2200.0 | 4 |
| Integrin alpha-L/beta-2 (LFA-1) CHEMBL2364172 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.49 | 5.0567 | 3265.8 | 3 |
| Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 CHEMBL2096661 | IC50 | 5.42 | 5.42 | 3780.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.21 | 5.21 | 6142.0 | 1 |
| SW480 CHEMBL612544 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.09 | 5.09 | 8028.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.06 | 5.06 | 8680.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.06 | 5.06 | 8753.0 | 1 |
| Substance-K receptor CHEMBL2327 | Ki | 5.03 | 5.03 | 9408.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.0 | 4.56 | 10000.0 | 4 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.0 | 5.0 | 10104.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 4.95 | 4.93 | 11214.0 | 3 |
| A549 CHEMBL392 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 4.89 | 4.645 | 12900.0 | 6 |
| Integrin alpha-L CHEMBL1803 | Kd | 4.89 | 4.89 | 12900.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 4.81 | 4.81 | 15586.0 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 4.79 | 4.79 | 16283.0 | 3 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.71 | 4.71 | 19300.0 | 2 |
| Androgen receptor CHEMBL3072 | Ki | 4.7 | 4.7 | 20110.0 | 1 |
| Hs68 CHEMBL614578 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 4.59 | 4.59 | 25933.0 | 3 |
| Adenosine receptor A1 CHEMBL226 | IC50 | 4.57 | 4.57 | 26720.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Substance-K receptor CHEMBL2327 | IC50 | 4.55 | 4.55 | 28224.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.52 | 4.52 | 30164.0 | 1 |
| MEF CHEMBL614342 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.33 | 4.33 | 46800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 96.28 | ng.hr.mL-1 | Homo sapiens |
| AUC | 245.2 | - | Chlorocebus sabaeus |
| CL | 7.2 | mL.min-1.kg-1 | Homo sapiens |
| CL | 6.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.2 | mL.min-1.kg-1 | Homo sapiens |
| CL | 7.2 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 25.0 | nM | Homo sapiens |
| F | 20.0 | % | Homo sapiens |
| F | 5.0 | % | Homo sapiens |
| Fu | 0.043 | - | Homo sapiens |
| Fu | 0.043 | - | Homo sapiens |
| Fu | 0.22 | - | Homo sapiens |
| MRT | 1.3 | hr | Homo sapiens |
| T1/2 | 1.4 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine