Compound Detail
CHEMBL2313183
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4cc(C(=O)O)ccc4c3)CC2)c(C)c1
Basic Information
| ChEMBL ID | CHEMBL2313183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMZGBUVNHYUXDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
4.19
ALogP
4
HBA
2
HBD
103.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 35.0 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 0.6 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 0.6 | nM | 9.22 | 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 | Liver microsomes | 2 |
| 23237835 | 10.1016/j.bmcl.2012.11.084 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine