Compound Detail
CHEMBL310731
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Basic Information
| ChEMBL ID | CHEMBL310731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRWLKAXHAFPEHR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
246.2
MW (Da)
0.40
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 5.0 | 5.0 | 10000.0 | 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 | = | 10000.0 | nM | 5.0 | In vitro inhibition of partially purified calf lens aldose reductase; value rang... | 3121857 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3121857 | 10.1021/jm00396a037 | Aldo-keto reductase family 1 member B1 | 1 |
| 3121857 | 10.1021/jm00396a037 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine