Compound Detail
CHEMBL396759
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 | CHEMBL396759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPJIIDBSRRRANA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
3.16
ALogP
4
HBA
3
HBD
96.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.5 | nM | 8.6 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based a... | 17894481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17894481 | 10.1021/jm070705c | No relevant target | 1 |
| 17894481 | 10.1021/jm070705c | Bifunctional epoxide hydrolase 2 | 1 |
| 17894481 | 10.1021/jm070705c | Liver microsomes | 1 |
| 25479771 | 10.1016/j.bmcl.2014.11.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine