Compound Detail
CHEMBL20169
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Basic Information
| ChEMBL ID | CHEMBL20169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUHTVPPVLNSXLB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
3.44
ALogP
6
HBA
1
HBD
85.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 8.51 | 8.51 | 3.1 | 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 | = | 3.1 | nM | 8.51 | Inhibition of aldose reductase (aldo-keto reductase, AKR1B1) isolated from human... | 1899452 |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human placenta Aldose reductase | 31401008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1899452 | 10.1021/jm00105a018 | No relevant target | 2 |
| 1899452 | 10.1021/jm00105a018 | Rattus norvegicus | 2 |
| 1899452 | 10.1021/jm00105a018 | Aldo-keto reductase family 1 member B1 | 1 |
| 1899452 | 10.1021/jm00105a018 | Sorbitol dehydrogenase | 1 |
| 31401008 | 10.1016/j.bmc.2019.07.050 | Rattus norvegicus | 1 |
| 31401008 | 10.1016/j.bmc.2019.07.050 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine