Compound Detail
CHEMBL374322
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Basic Information
| ChEMBL ID | CHEMBL374322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWFWWRUQOVWLAN-SAZHDORSSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.78
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 9.4 | 9.2333 | 0.4 | 3 |
| Unchecked CHEMBL612545 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 0.4 | nM | 9.4 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 22522007 |
| 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 | = | 1.0 | nM | 9.0 | Inhibition of human recombinant soluble epoxide hydrolase | 17616115 |
| Unchecked | IC50 | = | 1.2 | nM | 8.92 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
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 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Bifunctional epoxide hydrolase 2 | 1 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Mycobacterium tuberculosis | 1 |
| 25479771 | 10.1016/j.bmcl.2014.11.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine