Compound Detail
CHEMBL5572736
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Basic Information
| ChEMBL ID | CHEMBL5572736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIDZCNCCCWFCIN-QDMKHBRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
2.59
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 5.67 | 5.67 | 2130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 2130.0 | nM | 5.67 | Antagonist activity at human alpha3beta4 nAChR expressed in HEK293 cells assesse... | 38151460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38151460 | 10.1021/acs.jmedchem.3c01758 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
Data from ChEMBL 36 via Core Engine