Compound Detail
CHEMBL3114612
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Basic Information
| ChEMBL ID | CHEMBL3114612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLKMRKXWNNOOQN-MSOLQXFVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.19
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 7.56 | 7.56 | 27.4 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL5669 | IC50 | 7.45 | 7.45 | 35.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 27.4 | nM | 7.56 | Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluoresc... | 24530032 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 35.4 | nM | 7.45 | Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescen... | 24530032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24530032 | 10.1016/j.bmc.2014.01.040 | Bifunctional epoxide hydrolase 2 | 2 |
Data from ChEMBL 36 via Core Engine