Compound Detail
CHEMBL5572021
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Basic Information
| ChEMBL ID | CHEMBL5572021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NASOTMKNCFTKCF-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.42
ALogP
4
HBA
2
HBD
68.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL4140 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 2.53 | nM | 8.6 | Inhibition of C57BL/6J mouse brain sEH using 14,15-EET as substrate preincubated... | 38215588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38215588 | 10.1016/j.ejmech.2023.116113 | Bifunctional epoxide hydrolase 2 | 2 |
Data from ChEMBL 36 via Core Engine