Compound Detail
CHEMBL585920
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C=CCCCC(=O)N1C[C@@H]([C@@H](C)OC(=O)Cc2ccc(-c3ccccc3)cc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL585920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAGXXIJCMPVOFC-GCJKJVERSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.17
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.85 | 7.845 | 14.0 | 2 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.84 | 4.835 | 14600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydroly... | 19877691 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 14.45 | nM | 7.84 | Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydroly... | 19877691 |
| Monoglyceride lipase | IC50 | = | 14600.0 | nM | 4.84 | Inhibition of human recombinant MGL using 2-oleoylglycerol by competitive hydrol... | 19877691 |
| Monoglyceride lipase | IC50 | = | 14791.08 | nM | 4.83 | Inhibition of human recombinant MGL using 2-oleoylglycerol by competitive hydrol... | 19877691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19877691 | 10.1021/jm9008532 | Monoglyceride lipase | 3 |
| 19877691 | 10.1021/jm9008532 | Fatty-acid amide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine