Compound Detail
CHEMBL550587
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Basic Information
| ChEMBL ID | CHEMBL550587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWDYSOZHSAWBCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
3.87
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Monoglyceride lipase CHEMBL3321 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation count... | 19232787 |
| Monoglyceride lipase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of MGL in Wistar rat cerebral membrane by HPLC | 19232787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19232787 | 10.1016/j.ejmech.2009.01.007 | Fatty-acid amide hydrolase 1 | 1 |
| 19232787 | 10.1016/j.ejmech.2009.01.007 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine