Compound Detail
CHEMBL363387
LIDORESTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL363387 |
| Name | LIDORESTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KYHVTMFADJNSGS-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
16
PK Parameters
10
Publications
10
Known Names
1
Indications
Molecular Properties
376.4
MW (Da)
4.34
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Diabetic Neuropathies
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 8.3 | 7.0567 | 5.0 | 3 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Aldo-keto reductase family 1 member A1 CHEMBL2246 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 97100.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 43500.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 72800.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 1.7 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.24 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.37 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 63768.73 | nM | Rattus norvegicus |
| Cmax | 11106.39 | nM | Rattus norvegicus |
| Cmax | 11106.39 | nM | Rattus norvegicus |
| T1/2 | 5.04 | hr | Rattus norvegicus |
| T1/2 | 5.61 | hr | Rattus norvegicus |
| T1/2 | 5.18 | hr | Rattus norvegicus |
| Tmax | 0.08 | hr | Rattus norvegicus |
| Tmax | 3.5 | hr | Rattus norvegicus |
| Tmax | 5.0 | hr | Rattus norvegicus |
| Vd | 0.694 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibition of recombinant human aldose reductase expressed in Escherich... | 15857120 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of aldose reductase | 17870536 |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant aldose reductase 2 expressed in Escherichia coli... | 19250825 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Wistar rat lens aldose reductase using D,L-glyceraldehyde as subst... | 25695864 |
| Aldo-keto reductase family 1 member A1 | IC50 | = | 27000.0 | nM | 4.57 | In vitro inhibition of recombinant human aldehyde reductase | 15857120 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human recombinant aldose reductase 1 after 10 mins by spectrophoto... | 19250825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857120 | 10.1021/jm0492094 | Rattus norvegicus | 29 |
| 15857120 | 10.1021/jm0492094 | ADMET | 16 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 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 |
| 19250825 | 10.1016/j.bmcl.2009.02.037 | Unchecked | 1 |
| 19250825 | 10.1016/j.bmcl.2009.02.037 | Aldo-keto reductase family 1 member B1 | 1 |
| 25695864 | 10.1021/jm5015814 | Aldo-keto reductase family 1 member B1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine