Compound Detail
CHEMBL1580909
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Basic Information
| ChEMBL ID | CHEMBL1580909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXMVXUIMDGXSPA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.15
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.22 | 5.22 | 5981.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.53 | 4.53 | 29700.0 | 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 | = | 5981.0 | nM | 5.22 | Inhibition of Wistar rat lenses ALR2 using D,L-glyceraldehyde as substrate prein... | 25602762 |
| Unchecked | IC50 | = | 29700.0 | nM | 4.53 | PubChem BioAssay. Dose-response confirmation of inhibitors of cullin neddylation... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25602762 | 10.1021/jm501484b | Aldo-keto reductase family 1 member B1 | 2 |
Data from ChEMBL 36 via Core Engine