Compound Detail
CHEMBL1933651
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Basic Information
| ChEMBL ID | CHEMBL1933651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJFHPWXJDBHGHG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
3.54
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 220.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.09167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of human soluble epoxide hydrolase using CMNPC as substrate after 5 m... | 22079754 |
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23237835 | 10.1016/j.bmcl.2012.11.084 | Liver microsomes | 2 |
| 22079754 | 10.1016/j.bmcl.2011.10.074 | Bifunctional epoxide hydrolase 2 | 1 |
| 25479771 | 10.1016/j.bmcl.2014.11.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine