Compound Detail
CHEMBL295139
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1c(CC(=O)O)c2cc(OC(=O)CCC(=O)OCc3ccccc3)ccc2n1C(=O)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL295139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVDAJXFPQSTEKZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.0
MW (Da)
5.35
ALogP
7
HBA
1
HBD
111.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 6.68 | 6.68 | 210.0 | 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 | = | 210.0 | nM | 6.68 | Inhibition of Aldose reductase (AR) | 11356107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11356107 | 10.1021/jm000483h | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine