Compound Detail
CHEMBL597562
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
Basic Information
| ChEMBL ID | CHEMBL597562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEDRBFDVJFLNJB-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
4.95
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Ki 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.75 | 6.745 | 180.0 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 5.64 | 5.64 | 2290.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... | 20143779 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 181.97 | nM | 6.74 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by liquid... | 20143779 |
| Fatty-acid amide hydrolase 1 | Ki | = | 190.0 | nM | 6.72 | Inhibition of FAAH-mediated [3H]AEA hydrolysis in rat brain homogenate by time-d... | 20143779 |
| Monoglyceride lipase | IC50 | = | 2290.87 | nM | 5.64 | Inhibition of human recombinant MGL | 20143779 |
| Monoglyceride lipase | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human recombinant MGL | 20143779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20143779 | 10.1021/jm901891p | Fatty-acid amide hydrolase 1 | 4 |
| 20143779 | 10.1021/jm901891p | Monoglyceride lipase | 3 |
Data from ChEMBL 36 via Core Engine