Compound Detail
CHEMBL72752
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Basic Information
| ChEMBL ID | CHEMBL72752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PICCQCWBQAQOHS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
2.68
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.66 | 5.66 | 2200.0 | 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 | = | 2200.0 | nM | 5.66 | Inhibition of human recombinant Aldose reductase in streptozotocin diabetic rat | 12773033 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 2200.0 | nM | 5.66 | In vitro inhibitroy concentration against Aldose reductase incubated at 24 degre... | 16190759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190759 | 10.1021/jm050462t | Rattus norvegicus | 4 |
| 12773033 | 10.1021/jm034065z | Aldo-keto reductase family 1 member B1 | 1 |
| 16190759 | 10.1021/jm050462t | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine