Compound Detail
CHEMBL2313175
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Basic Information
| ChEMBL ID | CHEMBL2313175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLIRRZHLWWMSKX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
4.47
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 50.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.4167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preinc... | 23237835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23237835 | 10.1016/j.bmcl.2012.11.084 | Liver microsomes | 2 |
| 23237835 | 10.1016/j.bmcl.2012.11.084 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine