Compound Detail
CHEMBL431760
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Basic Information
| ChEMBL ID | CHEMBL431760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWYRXIWSNZMDQM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
227.7
MW (Da)
1.84
ALogP
3
HBA
1
HBD
28.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | IC50 | 4.9 | 4.885 | 12600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR was... | 10377228 |
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR was... | 10377228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377228 | 10.1021/jm980721x | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
Data from ChEMBL 36 via Core Engine