Compound Detail
CHEMBL1208026
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Basic Information
| ChEMBL ID | CHEMBL1208026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAGKSXPAAZNNHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.35
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.74 | 4.74 | 18200.0 | 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 | = | 18200.0 | nM | 4.74 | Inhibition of aldose reductase | 22037047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22037047 | 10.1016/j.bmc.2011.09.053 | NON-PROTEIN TARGET | 3 |
| 22037047 | 10.1016/j.bmc.2011.09.053 | Rattus norvegicus | 2 |
| 22037047 | 10.1016/j.bmc.2011.09.053 | No relevant target | 2 |
| 22037047 | 10.1016/j.bmc.2011.09.053 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine