Compound Detail
CHEMBL497939
CYTISINICLINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL497939 |
| Name | CYTISINICLINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | ANJTVLIZGCUXLD-DTWKUNHWSA-N |
19
Targets
97
Activities
4
Assay Types
0
PK Parameters
20
Publications
10
Known Names
3
Indications
1
Mechanisms
Molecular Properties
190.2
MW (Da)
0.56
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 partial agonist | PARTIAL AGONIST | Neuronal acetylcholine receptor; alpha4/beta2 | ✓ | ✓ |
Indications
Smoking Cessation Tobacco Use Disorder Kidney Diseases
ATC Classification
N07BA04
cytisine
Level 1: NERVOUS SYSTEM
Level 2: OTHER NERVOUS SYSTEM DRUGS
Activity Summary
Ki 72 meas. best 9.91
EC50 17 meas. best 9.38
IC50 7 meas. best 7.3
Kd 1 meas. best 9.84
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 7 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 6 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 6 |
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| 24901260 | 10.1021/jm401937a | Neuronal acetylcholine receptor; alpha4/beta2 | 5 |
| 15050613 | 10.1016/j.bmcl.2003.09.105 | Unchecked | 5 |
| 16033252 | 10.1021/jm040219e | Unchecked | 4 |
| 33120080 | 10.1016/j.bmc.2020.115820 | Unchecked | 4 |
| 15908213 | 10.1016/j.bmcl.2005.04.036 | Neuronal acetylcholine receptor; alpha4/beta2 | 4 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 15686946 | 10.1016/j.bmcl.2004.11.073 | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 10377231 | 10.1021/jm9910223 | Rattus norvegicus | 3 |
| 15887955 | 10.1021/jm050069n | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 16171993 | 10.1016/j.bmcl.2005.08.035 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta4 | 3 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
Data from ChEMBL 36 via Core Engine