Compound Detail
CHEMBL142879
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Basic Information
| ChEMBL ID | CHEMBL142879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMWKWJYTQKFXHQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
384.8
MW (Da)
3.94
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibitory activity against aldose reductase isolated from human placen... | 1738141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738141 | 10.1021/jm00081a006 | Aldo-keto reductase family 1 member B1 | 1 |
| 1738141 | 10.1021/jm00081a006 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine