Compound Detail
CHEMBL157192
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Basic Information
| ChEMBL ID | CHEMBL157192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMZWBPRUYJYJJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.11
ALogP
2
HBA
1
HBD
52.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alcohol dehydrogenase CHEMBL2111372 | Ki | 4.1 | 4.1 | 79432.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alcohol dehydrogenase | Ki | = | 79432.82 | nM | 4.1 | Inhibitory activity against horse liver alcohol dehydrogenase (ADH) | 2939242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2939242 | 10.1021/jm00155a005 | Alcohol dehydrogenase | 1 |
| 2939242 | 10.1021/jm00155a005 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine