Compound Detail
CHEMBL195796
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Basic Information
| ChEMBL ID | CHEMBL195796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQABXUIGNYSGOR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
350.6
MW (Da)
4.37
ALogP
2
HBA
3
HBD
61.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL4140 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration against mouse soluble epoxide hydrolase (sEH) at 0.12 u... | 15887969 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 130.0 | nM | 6.89 | Inhibitory concentration against human soluble epoxide hydrolase (sEH) at 0.24 u... | 15887969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887969 | 10.1021/jm0500929 | Bifunctional epoxide hydrolase 2 | 2 |
Data from ChEMBL 36 via Core Engine