Compound Detail
CHEMBL3
NICOTINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL3 |
| Name | NICOTINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SNICXCGAKADSCV-JTQLQIEISA-N |
| Therapeutic | ✓ Yes |
56
Targets
560
Activities
4
Assay Types
21
PK Parameters
20
Publications
26
Known Names
20
Indications
1
Mechanisms
Molecular Properties
162.2
MW (Da)
1.85
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1984 |
| Availability | OTC |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 agonist | AGONIST | Neuronal acetylcholine receptor; alpha4/beta2 | ✓ | ✓ |
Indications
Tobacco Use Disorder Heart Failure Lung Neoplasms Marijuana Abuse Pulmonary Disease, Chronic Obstructive Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Smoking Smoking Cessation Uterine Cervical Neoplasms Alcohol Drinking Carcinoma Cognitive Dysfunction Depressive Disorder Parkinson Disease Postoperative Nausea and Vomiting Sarcoma Wounds and Injuries Aging Attention Deficit Disorder with Hyperactivity
ATC Classification
N07BA01
nicotine
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
Activity Summary
Ki 363 meas. best 10.35
EC50 106 meas. best 9.0
IC50 71 meas. best 9.0
Kd 20 meas. best 11.0
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 18.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 15.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 18.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 42.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 66.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 14.0 | mL.min-1.kg-1 | Macaca |
| CL | 18.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 19.0 | mL.min-1.kg-1 | Homo sapiens |
| F | 49.0 | % | Homo sapiens |
| Fu | 0.95 | - | - |
| Fu | 0.15 | - | - |
| Fu | 0.95 | - | Homo sapiens |
| Fu | 0.95 | - | Homo sapiens |
| Fu | 0.95 | - | Homo sapiens |
| Ka | 4700000.0 | M-1 | Rattus norvegicus |
| Ka | 4400.0 | M-1 | Rattus norvegicus |
| MRT | 2.4 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
| T1/2 | 2.0 | hr | Rattus norvegicus |
| T1/2 | 0.1 | hr | Mus musculus |
| T1/2 | 0.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 405 |
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 33120080 | 10.1016/j.bmc.2020.115820 | Neuronal acetylcholine receptor; alpha4/beta2 | 17 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 4032427 | 10.1021/jm00147a021 | Neuronal acetylcholine receptor | 14 |
| 24581918 | 10.1016/j.bmcl.2014.02.008 | NON-PROTEIN TARGET | 12 |
| 16789751 | 10.1021/jm060230+ | ADMET | 10 |
| 23092294 | 10.1021/jm301177j | Neuronal acetylcholine receptor; alpha4/beta2 | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 9 |
| 20070106 | 10.1021/jm901371v | Homo sapiens | 8 |
| - | 10.1016/S0960-894X(01)80157-8 | Rattus norvegicus | 8 |
| 15920768 | 10.1002/jps.20373 | ADMET | 8 |
| 25408831 | 10.1021/ml500129k | Neuronal acetylcholine receptor; alpha4/beta2 | 8 |
| 33120080 | 10.1016/j.bmc.2020.115820 | Unchecked | 7 |
| - | 10.6019/CHEMBL5303304 | U2OS | 7 |
| 20822184 | 10.1021/jm100765u | Neuronal acetylcholine receptor; alpha4/beta2 | 6 |
| 23116890 | 10.1016/j.bmcl.2012.10.012 | Neuronal acetylcholine receptor; alpha4/beta2 | 6 |
| 22171543 | 10.1021/jm201157c | Neuronal acetylcholine receptor; alpha4/beta2 | 6 |
| 23734673 | 10.1021/jm400510u | Neuronal acetylcholine receptor; alpha4/beta2 | 6 |
| 18710918 | 10.1128/aac.00523-08 | NON-PROTEIN TARGET | 6 |
Data from ChEMBL 36 via Core Engine