Compound Detail
CHEMBL4762433
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Basic Information
| ChEMBL ID | CHEMBL4762433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVPBNUHMEAUHHS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.6
MW (Da)
6.80
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 5.15 | 5.15 | 7059.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL5669 | IC50 | 4.8 | 4.8 | 15910.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL4140 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 7059.0 | nM | 5.15 | Inhibition of recombinant human sEH expressed in baculovirus expression system u... | 33320645 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 15910.0 | nM | 4.8 | Inhibition of recombinant rat sEH expressed in baculovirus expression system usi... | 33320645 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of recombinant mouse sEH expressed in baculovirus expression system u... | 33320645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33320645 | 10.1021/acs.jnatprod.0c00938 | Bifunctional epoxide hydrolase 2 | 3 |
Data from ChEMBL 36 via Core Engine