Compound Detail
CHEMBL292963
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Basic Information
| ChEMBL ID | CHEMBL292963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMHZAHGTGIZZCT-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
449.2
MW (Da)
2.19
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 7.14 | 7.14 | 72.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 9.0 | nM | 8.05 | In vitro inhibition of aldose reductase activity in a partially purified bovine ... | 8027986 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 72.6 | nM | 7.14 | Inhibitory Activity against Human recombinant Aldose Reductase (wild type) | 10737739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737739 | 10.1021/jm990168z | Unchecked | 4 |
| 10737739 | 10.1021/jm990168z | Aldo-keto reductase family 1 member B1 | 1 |
| 8027986 | 10.1021/jm00039a017 | Aldo-keto reductase family 1 member B1 | 1 |
| 8027986 | 10.1021/jm00039a017 | Rattus norvegicus | 1 |
| 8027986 | 10.1021/jm00039a017 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine