Compound Detail
CHEMBL19502
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Basic Information
| ChEMBL ID | CHEMBL19502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSBYJYVDSPDBRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.7
MW (Da)
0.93
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.57 | 6.57 | 270.0 | 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 | = | 270.0 | nM | 6.57 | Inhibition of human placental aldose reductase (HPAR) activity with glyceraldehy... | 2498517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2498517 | 10.1021/jm00126a011 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine