Compound Detail
CHEMBL2440420
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 | CHEMBL2440420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJPGLTISBDUBNI-GYHWCHFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
4.03
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B10 CHEMBL5983 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B10 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of human recombinant N-terminal His6-tagged AKR1B10 expressed in Esch... | 24071447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24071447 | 10.1016/j.bmc.2013.08.059 | Aldo-keto reductase family 1 member B1 | 2 |
| 24071447 | 10.1016/j.bmc.2013.08.059 | Aldo-keto reductase family 1 member B10 | 1 |
Data from ChEMBL 36 via Core Engine