Compound Detail
CHEMBL10413
ZENARESTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL10413 |
| Name | ZENARESTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SXONDGSPUVNZLO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
11
Publications
4
Known Names
Molecular Properties
441.6
MW (Da)
2.85
ALogP
5
HBA
1
HBD
81.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 6 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 8.1 | 7.61 | 8.0 | 3 |
| Aldo-keto reductase family 1 member B1 CHEMBL4559 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Aldo-keto reductase family 1 member A1 CHEMBL2246 | IC50 | 5.0 | 5.0 | 9900.0 | 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 | = | 4.4 | nM | 8.36 | Inhibitory activity against purified rat lens aldose reductase (RLAR) | 8145228 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibition of recombinant human aldose reductase expressed in Escherich... | 15857120 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory concentration against porcine lens aldose reductase (AR) with DL-glyc... | - |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 42.4 | nM | 7.37 | Inhibitory Activity against Human recombinant Aldose Reductase (wild type) | 10737739 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of aldose reductase | 17870536 |
| Aldo-keto reductase family 1 member A1 | IC50 | = | 9900.0 | nM | 5.0 | In vitro inhibition of recombinant human aldehyde reductase | 15857120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 10737739 | 10.1021/jm990168z | Unchecked | 4 |
| - | 10.1016/S0960-894X(97)00287-4 | Rattus norvegicus | 4 |
| 15857120 | 10.1021/jm0492094 | Rattus norvegicus | 2 |
| 8145228 | 10.1021/jm00032a011 | Aldo-keto reductase family 1 member B1 | 1 |
| 10737739 | 10.1021/jm990168z | Aldo-keto reductase family 1 member B1 | 1 |
| - | 10.1016/S0960-894X(97)00287-4 | Aldo-keto reductase family 1 member B1 | 1 |
| 15857120 | 10.1021/jm0492094 | Aldo-keto reductase family 1 member B1 | 1 |
| 15857120 | 10.1021/jm0492094 | Aldo-keto reductase family 1 member A1 | 1 |
| 17870536 | 10.1016/j.bmc.2007.08.019 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine