Compound Detail
CHEMBL1738820
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Basic Information
| ChEMBL ID | CHEMBL1738820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZLJLZVXWBEGCE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
207.2
MW (Da)
-1.01
ALogP
6
HBA
3
HBD
134.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 4.58 | 4.58 | 26500.0 | 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 | = | 26500.0 | nM | 4.58 | Inhibition of recombinant human ALR2 using D,L-glyceraldehyde and NADPH as subst... | 27666634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21641093 | 10.1016/j.ejmech.2011.05.025 | Ricin | 2 |
| 23050058 | 10.1021/ml300099t | Ricin | 1 |
| 27666634 | 10.1016/j.bmcl.2016.09.033 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine