Compound Detail
CHEMBL4074865
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Basic Information
| ChEMBL ID | CHEMBL4074865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRQYLGIDTXZHEU-GXSJLCMTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
1.32
ALogP
4
HBA
0
HBD
34.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.52 | 4.52 | 30400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 22000.0 | nM | 4.66 | Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in HEK293... | 27810599 |
| Unchecked | Ki | = | 30400.0 | nM | 4.52 | Displacement of [3H]epibatidine from rat cerebral cortex membrane alpha4beta2* n... | 27810599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810599 | 10.1016/j.ejmech.2016.10.048 | Unchecked | 2 |
| 27810599 | 10.1016/j.ejmech.2016.10.048 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine