Compound Detail
CHEMBL2260160
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Basic Information
| ChEMBL ID | CHEMBL2260160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWAIOPUKCAXPQM-VMPITWQZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
1.59
ALogP
4
HBA
2
HBD
72.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 8.21 | 6.71 | 6.1 | 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 | = | 6.14 | nM | 8.21 | Inhibition of aldose reductase (unknown origin) | - |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 6137.62 | nM | 5.21 | Inhibition of aldose reductase (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-007-9061-4 | Aldo-keto reductase family 1 member B1 | 2 |
Data from ChEMBL 36 via Core Engine