Compound Detail
CHEMBL4741234
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Basic Information
| ChEMBL ID | CHEMBL4741234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFFWMFZWOVDMTI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
5.00
ALogP
2
HBA
1
HBD
43.1
PSA (Ų)
0.73
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 9.03 | 8.845 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epoxide hydrolase 1 | IC50 | = | 0.94 | nM | 9.03 | Inhibition of tissue extract derived mEH (unknown origin) using [3H]trans-stilbe... | 32203787 |
| Epoxide hydrolase 1 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of human mEH using CMNGC as substrate preincubated for 5 mins followe... | 32203787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32203787 | 10.1016/j.ejmech.2020.112206 | Epoxide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine