Compound Detail
CHEMBL222160
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Basic Information
| ChEMBL ID | CHEMBL222160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVMGPQHXRIFVME-MAEOIBBWSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
4.04
ALogP
3
HBA
3
HBD
87.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 6.85 | 6.7233 | 142.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 142.0 | nM | 6.85 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 22522007 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human recombinant soluble epoxide hydrolase by kinetic fluorescent... | 16949285 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 220.0 | nM | 6.66 | 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 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Mycobacterium tuberculosis | 1 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine