Compound Detail
CHEMBL4742239
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Basic Information
| ChEMBL ID | CHEMBL4742239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUYDJGAZOQXONR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
7.57
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 4.79 | 4.79 | 16077.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL5669 | IC50 | 4.54 | 4.54 | 28676.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL4140 | IC50 | 4.05 | 4.05 | 89850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 16077.0 | nM | 4.79 | Inhibition of recombinant human sEH expressed in baculovirus expression system u... | 33320645 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 28676.0 | nM | 4.54 | Inhibition of recombinant rat sEH expressed in baculovirus expression system usi... | 33320645 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 89850.0 | nM | 4.05 | 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