Compound Detail
CHEMBL4436968
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Basic Information
| ChEMBL ID | CHEMBL4436968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJFPEMTXSLXZMM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.2
MW (Da)
2.97
ALogP
4
HBA
1
HBD
72.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 7.7 | 7.7 | 20.0 | 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 | = | 20.0 | nM | 7.7 | Inhibition of human Aldose reductase | 31401008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31401008 | 10.1016/j.bmc.2019.07.050 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine