Compound Detail
CHEMBL449955
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Basic Information
| ChEMBL ID | CHEMBL449955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOCXFTUWDRAVRM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
3.06
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alcohol dehydrogenase CHEMBL2111372 | Ki | 7.58 | 7.58 | 26.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alcohol dehydrogenase | Ki | = | 26.3 | nM | 7.58 | Inhibitory activity against horse liver alcohol dehydrogenase (ADH) | 2939242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2939242 | 10.1021/jm00155a005 | Alcohol dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine