Compound Detail
CHEMBL1668937
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Basic Information
| ChEMBL ID | CHEMBL1668937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZQKXLOSWIHURY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.41
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.81
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 | 8.485 | 1.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11300.0 | ng.hr.mL-1 | Rattus norvegicus |
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 | 21211973 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 6.7 | nM | 8.17 | Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conve... | 21211973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21211973 | 10.1016/j.bmcl.2010.12.042 | Bifunctional epoxide hydrolase 2 | 2 |
| 21211973 | 10.1016/j.bmcl.2010.12.042 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21211973 | 10.1016/j.bmcl.2010.12.042 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine