Compound Detail
CHEMBL3353250
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
CCN(CC)C(=O)c1cc(O[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)ccn1
Basic Information
| ChEMBL ID | CHEMBL3353250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDAHBPXUYBWRRA-JCNLHEQBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
5.75
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.49
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 0.5 | nM | 9.3 | sEH Assay: See reference (Jones, P. D.; Wolf, N. M.; Morisseau, C.; Whetstone, P... | - |
| Unchecked | IC50 | = | 9.6 | nM | 8.02 | Inhibition of recombinant purified chicken soluble epoxide hydrolase using fluor... | 25479771 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25479771 | 10.1016/j.bmcl.2014.11.053 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine