Compound Detail
CHEMBL216287
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Basic Information
| ChEMBL ID | CHEMBL216287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQMNKAGVCNSSIW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
2.25
ALogP
2
HBA
3
HBD
53.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 5.38 | 5.38 | 4200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay | 16870439 |
| Epoxide hydrolase 1 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition Assay: The enzyme also can be detected based on the binding of specif... | - |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 4200.0 | nM | 5.38 | Assays for Epoxide Hydrolase Activity: Any of a number of standard assays for de... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870439 | 10.1016/j.bmcl.2006.07.009 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine