Compound Detail
CHEMBL268282
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Basic Information
| ChEMBL ID | CHEMBL268282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEKAXIFHLIITGV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
1.43
ALogP
4
HBA
1
HBD
76.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.43
Kd 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Kd | 5.6 | 5.6 | 2500.0 | 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 | = | 370.0 | nM | 6.43 | Compound was tested for inhibitory concentration against rat lens aldose reducta... | 3086557 |
| Tyrosine-protein kinase Lck | Kd | = | 2500.0 | nM | 5.6 | Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase | 10072676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072676 | 10.1021/jm980663f | Tyrosine-protein kinase Lck | 1 |
| 3086557 | 10.1021/jm00156a031 | Aldo-keto reductase family 1 member B1 | 1 |
| 32971428 | 10.1016/j.ejmech.2020.112832 | Helicobacter pylori | 1 |
Data from ChEMBL 36 via Core Engine