Compound Detail
CHEMBL591932
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
CC(=O)Nc1ccc(OC(=O)CNC(=O)C(C)c2ccc(Nc3ccnc(C(F)(F)F)c3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL591932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXQVVQVILWVISG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
4.63
ALogP
6
HBA
3
HBD
109.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.14 | 6.14 | 724.4 | 2 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.75 | 4.745 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 724.44 | nM | 6.14 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... | 20143779 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... | 20143779 |
| Monoglyceride lipase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human recombinant MGL | 20143779 |
| Monoglyceride lipase | IC50 | = | 18197.01 | nM | 4.74 | Inhibition of human recombinant MGL | 20143779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20143779 | 10.1021/jm901891p | Monoglyceride lipase | 3 |
| 20143779 | 10.1021/jm901891p | Fatty-acid amide hydrolase 1 | 3 |
Data from ChEMBL 36 via Core Engine