Compound Detail
CHEMBL10382
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Basic Information
| ChEMBL ID | CHEMBL10382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXVVCYVGZVGQBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.7
MW (Da)
0.24
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 7.11 | 7.11 | 78.2 | 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 | = | 78.2 | nM | 7.11 | Inhibitory Activity against Human recombinant Aldose Reductase (wild type) | 10737739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737739 | 10.1021/jm990168z | Unchecked | 4 |
| 8027986 | 10.1021/jm00039a017 | Rattus norvegicus | 4 |
| 8027986 | 10.1021/jm00039a017 | Aldo-keto reductase family 1 member B1 | 2 |
| 10737739 | 10.1021/jm990168z | Aldo-keto reductase family 1 member B1 | 1 |
| 8027986 | 10.1021/jm00039a017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine