Compound Detail
CHEMBL573
NIACIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL573 |
| Name | NIACIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
10
Targets
79
Activities
4
Assay Types
15
PK Parameters
20
Publications
19
Known Names
20
Indications
Molecular Properties
123.1
MW (Da)
0.78
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Prescription |
| Chirality | Achiral |
Indications
Abdominal Pain Acne Vulgaris Anemia Anemia, Iron-Deficiency Atherosclerosis Cardiovascular Diseases Coronary Artery Disease Hypercholesterolemia Hyperlipidemias Kidney Failure, Chronic Myocardial Infarction Acute Coronary Syndrome Carotid Artery Diseases Carotid Artery Diseases Diabetes Mellitus, Type 2 Flushing Heart Diseases Hyperlipidemia, Familial Combined Hyperlipoproteinemia Type II Intermittent Claudication
ATC Classification
C04AC01
nicotinic acid
Level 1: CARDIOVASCULAR SYSTEM
Level 2: PERIPHERAL VASODILATORS
C10AD02
nicotinic acid
Level 1: CARDIOVASCULAR SYSTEM
Level 2: LIPID MODIFYING AGENTS
C10AD52
nicotinic acid, combinations
Level 1: CARDIOVASCULAR SYSTEM
Level 2: LIPID MODIFYING AGENTS
Activity Summary
EC50 45 meas. best 8.06
IC50 29 meas. best 7.22
Ki 4 meas. best 7.48
Kd 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | EC50 | 8.06 | 6.6431 | 8.7 | 29 |
| Unchecked CHEMBL612545 | EC50 | 7.58 | 7.295 | 26.0 | 4 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4420 | EC50 | 7.54 | 7.2167 | 29.0 | 3 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4731 | EC50 | 7.41 | 6.9967 | 39.0 | 3 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | Ki | 7.3 | 7.1233 | 50.0 | 3 |
| Molecular identity unknown CHEMBL612546 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Adipocyte CHEMBL614658 | IC50 | 7.16 | 7.13 | 70.0 | 2 |
| Hydroxycarboxylic acid receptor 2 CHEMBL3785 | IC50 | 6.89 | 6.6153 | 130.0 | 15 |
| Hydroxycarboxylic acid receptor 2 CHEMBL4420 | IC50 | 6.85 | 6.85 | 140.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.425 | 140.0 | 2 |
| Adipocyte CHEMBL614658 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.02 | 5.8167 | 960.0 | 3 |
| Unchecked CHEMBL612545 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
| Canis familiaris CHEMBL373 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.88 | 4.62 | 13100.0 | 2 |
| Hydroxycarboxylic acid receptor 3 CHEMBL4421 | EC50 | 4.12 | 4.12 | 75857.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1.0 | microM/hr/mg | Mus musculus |
| AUC | 6980.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 466.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 167.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 145.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 145.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 71000.0 | nM | Mus musculus |
| Cmax | 60653.07 | nM | Rattus norvegicus |
| Cmax | 2997.32 | nM | Rattus norvegicus |
| F | 100.0 | % | Mus musculus |
| F | 100.0 | % | Mus musculus |
| F | 100.0 | % | Mus musculus |
| T1/2 | 0.02 | hr | Mus musculus |
| T1/2 | 0.02 | hr | Mus musculus |
| T1/2 | 0.02 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine