Compound Detail
CHEMBL72789
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Basic Information
| ChEMBL ID | CHEMBL72789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXEKALFXHABDOA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
0.25
ALogP
5
HBA
2
HBD
57.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 1.8 | nM | 8.74 | In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 in r... | 10841800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10841800 | 10.1021/jm990973d | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine