Compound Detail
CHEMBL121472
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Basic Information
| ChEMBL ID | CHEMBL121472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONXDDFUPQNEFFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
2.38
ALogP
4
HBA
0
HBD
70.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldehyde dehydrogenase 1A1 CHEMBL2931 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldehyde dehydrogenase 1A1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibitory activity against yeast alcohol dehydrogenase | 1433175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433175 | 10.1021/jm00098a008 | Aldehyde dehydrogenase 1A1 | 2 |
Data from ChEMBL 36 via Core Engine