Compound Detail
CHEMBL1780235
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
Basic Information
| ChEMBL ID | CHEMBL1780235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWXQDSJKVIYMHR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
4.05
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant aldose reductase 2 expressed in Escherichia coli... | 19250825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine