Compound Detail
CHEMBL3422944
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Basic Information
| ChEMBL ID | CHEMBL3422944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBTIGFAQSZYTIC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.9
MW (Da)
5.79
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.82 | 7.7775 | 15.0 | 4 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 4.08 | 4.08 | 83000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate p... | 26002335 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate a... | 26002335 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate p... | 26002335 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate p... | 26002335 |
| Monoglyceride lipase | IC50 | = | 83000.0 | nM | 4.08 | Inhibition of human recombinant MAGL using 4-nitrophenylacetate as substrate aft... | 26002335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26002335 | 10.1016/j.ejmech.2015.04.064 | Fatty-acid amide hydrolase 1 | 4 |
| 26002335 | 10.1016/j.ejmech.2015.04.064 | Monoglyceride lipase | 1 |
| 26002335 | 10.1016/j.ejmech.2015.04.064 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine