Compound Detail
CHEMBL542104
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Basic Information
| ChEMBL ID | CHEMBL542104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPPRKBDIAQCXOG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191062 |
| Active Moiety | CHEMBL1191062 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.00
ALogP
4
HBA
1
HBD
53.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL4559 | IC50 | 7.92 | 7.92 | 12.0 | 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 | = | 12.0 | nM | 7.92 | Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00287-4 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(97)00287-4 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine