Compound Detail
CHEMBL3276276
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3276276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMMRLGUAOKUPPP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
144.6
MW (Da)
1.58
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alcohol dehydrogenase CHEMBL2111372 | Kd | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alcohol dehydrogenase | Kd | = | 20.0 | nM | 7.7 | Inhibition of horse liver alcohol dehydrogenase using ethanol as substrate asses... | 219196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 219196 | 10.1021/jm00190a005 | Alcohol dehydrogenase | 2 |
Data from ChEMBL 36 via Core Engine