Compound Detail
CHEMBL77283
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 | CHEMBL77283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJGBDVAWWMDDGW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.69
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 6.12 | 6.12 | 760.0 | 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 | = | 760.0 | nM | 6.12 | In vitro inhibition of rabbit lens aldose reductase. | 3097317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3097317 | 10.1021/jm00161a033 | Aldo-keto reductase family 1 member B1 | 4 |
| 3097317 | 10.1021/jm00161a033 | Rattus norvegicus | 1 |
| 3097317 | 10.1021/jm00161a033 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine