Compound Detail
CHEMBL298539
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Basic Information
| ChEMBL ID | CHEMBL298539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFIVSEXPYVNBHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.80
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 4.22 | 4.22 | 60490.0 | 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 | = | 60490.0 | nM | 4.22 | Inhibition of ALR2 (aldose reductase) of bovine lens | 10354396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10354396 | 10.1021/jm980441h | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine