Compound Detail
CHEMBL3426177
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Basic Information
| ChEMBL ID | CHEMBL3426177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZYLKFDBXMOFFB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
3.16
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 5.64 | 5.35 | 2290.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 2290.0 | nM | 5.64 | Inhibition of ALR2 in calf lenses using DL-glyceraldehyde as substrate treated w... | 26005026 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of ALR1 in calf kidney using sodium D-glucoronate as substrate treate... | 26005026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26005026 | 10.1016/j.ejmech.2015.05.011 | Mus musculus | 5 |
| 26005026 | 10.1016/j.ejmech.2015.05.011 | Aldo-keto reductase family 1 member B1 | 2 |
| 26005026 | 10.1016/j.ejmech.2015.05.011 | Unchecked | 1 |
| 26005026 | 10.1016/j.ejmech.2015.05.011 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine