Compound Detail
CHEMBL1632468
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Basic Information
| ChEMBL ID | CHEMBL1632468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDQRJGIQZYNMBA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.10
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 313.99 | ng.hr.mL-1 | Mus musculus |
| Cmax | 84.0 | nM | Mus musculus |
| T1/2 | 14.0 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human recombinant soluble epoxide hydrolase expressed in baculovir... | 21070033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21070033 | 10.1021/jm101087u | Mus musculus | 4 |
| 21070033 | 10.1021/jm101087u | Bifunctional epoxide hydrolase 2 | 1 |
| 21070033 | 10.1021/jm101087u | No relevant target | 1 |
| 25479771 | 10.1016/j.bmcl.2014.11.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine