Compound Detail
CHEMBL325596
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Basic Information
| ChEMBL ID | CHEMBL325596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWOUKLZPHYFEMR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.8
MW (Da)
2.07
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.46 | 5.46 | 3510.0 | 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 | = | 3510.0 | nM | 5.46 | In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat k... | 1956041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1956041 | 10.1021/jm00115a011 | Aldo-keto reductase family 1 member B1 | 3 |
Data from ChEMBL 36 via Core Engine