Compound Detail
CHEMBL277816
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Basic Information
| ChEMBL ID | CHEMBL277816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXYUDRHKSGZCJ-TXEJJXNPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.78
ALogP
8
HBA
0
HBD
92.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sorbitol dehydrogenase CHEMBL2275 | IC50 | 6.67 | 6.67 | 212.0 | 1 |
| Sorbitol dehydrogenase CHEMBL4038 | IC50 | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sorbitol dehydrogenase | IC50 | = | 212.0 | nM | 6.67 | In vitro inhibition against human recombinant sorbitol dehydrogenase | 12031323 |
| Sorbitol dehydrogenase | IC50 | = | 227.0 | nM | 6.64 | Inhibition of recombinant rat sorbitol dehydrogenase | 12031323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031323 | 10.1016/s0960-894x(02)00208-1 | Sorbitol dehydrogenase | 2 |
| 12031323 | 10.1016/s0960-894x(02)00208-1 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine