Compound Detail
CHEMBL216016
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Basic Information
| ChEMBL ID | CHEMBL216016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLGBNJOFYGIGRX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
3.56
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3.88 | ng.hr.mL-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 1.3 | nM | 8.89 | Inhibition of soluble epoxide hydroxylase by kinetic fluorescent assay | 16870439 |
| Epoxide hydrolase 1 | IC50 | = | 1.3 | nM | 8.89 | Inhibition Assay: Inhibition assay of human soluble epoxide hydrolases. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870439 | 10.1016/j.bmcl.2006.07.009 | Bifunctional epoxide hydrolase 2 | 1 |
| 16870439 | 10.1016/j.bmcl.2006.07.009 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine