Compound Detail
CHEMBL387810
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Basic Information
| ChEMBL ID | CHEMBL387810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVCKSZSZTVYJKW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.25
ALogP
2
HBA
2
HBD
50.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.41 | 8.185 | 3.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of human recombinant soluble epoxide hydrolase | 17616115 |
| Unchecked | IC50 | = | 9.6 | nM | 8.02 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 11.1 | nM | 7.96 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 22522007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17616115 | 10.1021/jm070270t | Bifunctional epoxide hydrolase 2 | 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