Compound Detail
CHEMBL32799
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL32799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKEKVTYZTKVMKC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
253.6
MW (Da)
1.58
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 6.0 | 5.5 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory concentration was determined against partially purified calf lens ald... | 6818344 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory concentration was determined against partially purified calf lens ald... | 6818344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6818344 | 10.1021/jm00354a012 | Aldo-keto reductase family 1 member B1 | 3 |
| 6818344 | 10.1021/jm00354a012 | Rattus norvegicus | 2 |
| 3121857 | 10.1021/jm00396a037 | Aldo-keto reductase family 1 member B1 | 1 |
| 3121857 | 10.1021/jm00396a037 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine