Compound Detail
CHEMBL2313174
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Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCCC4)c(C(N)=O)c3)CC2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL2313174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPXLUSQZCVFMMC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.43
ALogP
5
HBA
2
HBD
112.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human sEH assessed as 6-methoxy-2-naphthaldehyde generation preinc... | 23237835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23237835 | 10.1016/j.bmcl.2012.11.084 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine