Compound Detail
CHEMBL1076903
VARENICLINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1076903 |
| Name | VARENICLINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | JQSHBVHOMNKWFT-DTORHVGOSA-N |
| Therapeutic | ✓ Yes |
18
Targets
91
Activities
3
Assay Types
4
PK Parameters
20
Publications
4
Known Names
20
Indications
1
Mechanisms
Molecular Properties
211.3
MW (Da)
1.80
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2006 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 partial agonist | PARTIAL AGONIST | Neuronal acetylcholine receptor; alpha4/beta2 | ✓ | ✓ |
Indications
Eye Diseases Tobacco Use Disorder Acute Coronary Syndrome Alcoholism Dry Eye Syndromes Lung Neoplasms Lung Neoplasms Neoplasms Smoking Cessation Alcohol Drinking Alzheimer Disease Amphetamine-Related Disorders Cocaine-Related Disorders Friedreich Ataxia Machado-Joseph Disease Marijuana Abuse Parkinson Disease Psychotic Disorders Schizophrenia Substance-Related Disorders
ATC Classification
N07BA03
varenicline
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
S01XA28
varenicline
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
Ki 60 meas. best 10.4
EC50 20 meas. best 10.22
IC50 11 meas. best 7.41
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.897 | - | Rattus norvegicus |
| Fu | 0.709 | - | Rattus norvegicus |
| T1/2 | 5.4 | hr | Mus musculus |
| T1/2 | 1.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| 23092294 | 10.1021/jm301177j | Neuronal acetylcholine receptor; alpha4/beta2 | 8 |
| 17964169 | 10.1016/j.bmc.2007.10.027 | Mus musculus | 7 |
| 23540678 | 10.1021/jm4000374 | Mustela putorius furo | 7 |
| 16171993 | 10.1016/j.bmcl.2005.08.035 | Neuronal acetylcholine receptor; alpha4/beta2 | 7 |
| 22742586 | 10.1021/jm300575y | Mus musculus | 6 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 6 |
| 24428686 | 10.1021/jm401602p | Mus musculus | 6 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Mus musculus | 6 |
| 24901260 | 10.1021/jm401937a | Neuronal acetylcholine receptor; alpha4/beta2 | 6 |
| 22148173 | 10.1021/jm201301h | Neuronal acetylcholine receptor; alpha3/beta4 | 5 |
| 23540678 | 10.1021/jm4000374 | Neuronal acetylcholine receptor; alpha3/beta4 | 4 |
| 22148173 | 10.1021/jm201301h | Neuronal acetylcholine receptors; alpha-3/beta-4, alpha-5, beta-2 | 4 |
| 24047231 | 10.1021/jm4008455 | Neuronal acetylcholine receptor; alpha4/beta2 | 4 |
| 26233800 | 10.1016/j.bmc.2015.07.021 | Neuronal acetylcholine receptor; alpha4/beta2 | 4 |
| 23540678 | 10.1021/jm4000374 | Neuronal acetylcholine receptor; alpha4/beta2 | 4 |
| 24047231 | 10.1021/jm4008455 | Neuronal acetylcholine receptor; alpha3/beta4 | 4 |
| 24428686 | 10.1021/jm401602p | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 23540678 | 10.1021/jm4000374 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine