Compound Detail
CHEMBL3798355
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
O=C(Oc1ccc(C(F)(F)F)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1
Basic Information
| ChEMBL ID | CHEMBL3798355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNNDFWNUSYAEGF-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
5.35
ALogP
7
HBA
0
HBD
67.3
PSA (Ų)
0.48
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.8
Ki 1 meas. best 10.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 10.83 | 10.83 | 0.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.0147 | nM | 10.83 | Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transme... | 27130358 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 0.16 | nM | 9.8 | Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transme... | 27130358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27130358 | 10.1016/j.bmcl.2016.02.061 | Fatty-acid amide hydrolase 1 | 3 |
Data from ChEMBL 36 via Core Engine