Compound Detail
CHEMBL90488
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Basic Information
| ChEMBL ID | CHEMBL90488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDTHNROWHAAVPJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
-1.10
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sorbitol dehydrogenase CHEMBL2275 | IC50 | 6.62 | 6.41 | 240.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sorbitol dehydrogenase | IC50 | = | 240.0 | nM | 6.62 | Concentration required for 50% in vitro inhibition of recombinant human sorbitol... | 11784155 |
| Sorbitol dehydrogenase | IC50 | = | 246.0 | nM | 6.61 | In vitro inhibitory activity against human SDH | 11495581 |
| Sorbitol dehydrogenase | IC50 | = | 1000.0 | nM | 6.0 | Concentration required for inhibitory activity against human sorbitol dehydrogen... | 11720859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784155 | 10.1021/jm010440g | Sorbitol dehydrogenase | 1 |
| 11495581 | 10.1021/jm0102001 | Sorbitol dehydrogenase | 1 |
| 11495581 | 10.1021/jm0102001 | Rattus norvegicus | 1 |
| 11720859 | 10.1016/s0960-894x(01)00637-0 | Sorbitol dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine