Compound Detail
CHEMBL1594316
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Basic Information
| ChEMBL ID | CHEMBL1594316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OADMBJNEWPMECL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
3.01
ALogP
3
HBA
0
HBD
26.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME... | 24900624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900624 | 10.1021/ml4002562 | Bifunctional epoxide hydrolase 2 | 2 |
| 28789895 | 10.1016/j.bmcl.2017.07.071 | Adenosine receptor A2a | 2 |
| 28789895 | 10.1016/j.bmcl.2017.07.071 | Adenosine receptor A1 | 2 |
| 24900624 | 10.1021/ml4002562 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 35959635 | 10.1021/acs.jmedchem.2c00386 | Toll-like receptor 9 | 1 |
| 35959635 | 10.1021/acs.jmedchem.2c00386 | Toll-like receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine