Compound Detail
CHEMBL457882
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Basic Information
| ChEMBL ID | CHEMBL457882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUBMDYCXTDANEM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.07
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Monoglyceride lipase CHEMBL3321 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation count... | 19232787 |
| Mus musculus | IC50 | = | 690.0 | nM | 6.16 | Half life in mouse brain | 18983142 |
| Monoglyceride lipase | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of MGL in Wistar rat cerebral membrane by HPLC | 19232787 |
| Monoglyceride lipase | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of MAGL (unknown origin) | 27267002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19232787 | 10.1016/j.ejmech.2009.01.007 | Monoglyceride lipase | 2 |
| 18983142 | 10.1021/jm800311k | Mus musculus | 1 |
| 19232787 | 10.1016/j.ejmech.2009.01.007 | Fatty-acid amide hydrolase 1 | 1 |
| 27267002 | 10.1016/j.ejmech.2016.05.038 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine