Compound Detail
CHEMBL440464
(+/-)NICOTINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL440464 |
| Name | (+/-)NICOTINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNICXCGAKADSCV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
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 |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 8.07 | 8.07 | 8.6 | 1 |
| Neuronal acetylcholine receptor; alpha2/beta2 CHEMBL2109236 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 6.76 | 6.76 | 172.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 8.6 | nM | 8.07 | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds ment... | - |
| Neuronal acetylcholine receptor; alpha2/beta2 | Ki | = | 12.0 | nM | 7.92 | [3H]-Epibatidine Radioligand Binding Assay: Briefly, cultured cells at >80% conf... | - |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 172.0 | nM | 6.76 | Binding to Nicotinic Receptor Subtypes: The binding of a group of compounds ment... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine