Compound Detail
CHEMBL357100
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Basic Information
| ChEMBL ID | CHEMBL357100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVEZURJWROVBGH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
754.5
MW (Da)
8.23
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 7000.0 | 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 | = | 5500.0 | nM | 5.26 | In vitro inhibitory activity against recombinant human aldose reductase (ALR2) w... | 14613323 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory activity on sorbital accumulation in human retinal cells was determin... | 14613323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613323 | 10.1021/jm030957n | Aldo-keto reductase family 1 member B1 | 1 |
| 14613323 | 10.1021/jm030957n | Unchecked | 1 |
| - | 10.1021/np50117a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine