Compound Detail
CHEMBL1275967
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Basic Information
| ChEMBL ID | CHEMBL1275967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQAKOBWZJGNTLS-QMMMGPOBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
-0.61
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 4.15 | 4.15 | 71200.0 | 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 | = | 71200.0 | nM | 4.15 | Inhibition of Fischer-344 rat lens ALR2 by least-square analysis | 20936791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20936791 | 10.1021/jm101008m | Aldo-keto reductase family 1 member B1 | 2 |
| 20936791 | 10.1021/jm101008m | Aldo-keto reductase family 1 member A1 | 1 |
| 20936791 | 10.1021/jm101008m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine