Compound Detail
CHEMBL1645384
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 | CHEMBL1645384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUGWAQWUAGDMPL-UVTDQMKNSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
3.80
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 9.55 | 7.1033 | 0.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 0.28 | nM | 9.55 | Inhibition of aldose reductase (unknown origin) | - |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 279.9 | nM | 6.55 | Inhibition of aldose reductase (unknown origin) | - |
| Aldo-keto reductase family 1 member B1 | IC50 | = | 6140.0 | nM | 5.21 | Inhibition of aldose reductase | 21129963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-007-9061-4 | Aldo-keto reductase family 1 member B1 | 2 |
| 21129963 | 10.1016/j.bmcl.2010.11.041 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine