Compound Detail
CHEMBL231179
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Basic Information
| ChEMBL ID | CHEMBL231179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEXRPTJIVSKKTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
220.3
MW (Da)
2.41
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL3321 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of MGL in rat cerebellum cytosolic fractions assessed as [3H]2-oleoyl... | 17764163 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of FAAH in rat cerebellum membranes assessed as [3H]anandamide hydrol... | 17764163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17764163 | 10.1021/jm070642y | Monoglyceride lipase | 5 |
| 17764163 | 10.1021/jm070642y | Fatty-acid amide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine