Compound Detail
CHEMBL376647
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 | CHEMBL376647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYVQOOJCIFDJPB-PQODNNDASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.06
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.70
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 9.3 | 9.035 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of human recombinant soluble epoxide hydrolase by kinetic fluorescent... | 16949285 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of human recombinant soluble epoxide hydrolase | 17616115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16949285 | 10.1016/j.bmcl.2006.08.078 | Bifunctional epoxide hydrolase 2 | 2 |
| 17616115 | 10.1021/jm070270t | Bifunctional epoxide hydrolase 2 | 1 |
| 17616115 | 10.1021/jm070270t | Liver microsomes | 1 |
| 17616115 | 10.1021/jm070270t | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine