Compound Detail
CHEMBL5420923
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Basic Information
| ChEMBL ID | CHEMBL5420923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVOSMOTYPLEQAC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.26
ALogP
6
HBA
2
HBD
112.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 7.8 | 7.8 | 15.8 | 1 |
| Monoglyceride lipase CHEMBL4191 | IC50 | 6.32 | 6.32 | 479.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 15.8 | nM | 7.8 | Inhibition of human recombinant FAAH using AMC-AA as substrate preincubated for ... | 36462439 |
| Monoglyceride lipase | IC50 | = | 479.0 | nM | 6.32 | Inhibition of human recombinant MAGL using 7-hydroxycoumarinyl arachidonate as s... | 36462439 |
| NIH3T3 | IC50 | = | 35000.0 | nM | 4.46 | Cytotoxicity against mouse NIH3T3 cells assessed as inhibition of cell growth me... | 36462439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36462439 | 10.1016/j.ejmech.2022.114952 | No relevant target | 4 |
| 36462439 | 10.1016/j.ejmech.2022.114952 | Fatty-acid amide hydrolase 1 | 1 |
| 36462439 | 10.1016/j.ejmech.2022.114952 | Monoglyceride lipase | 1 |
| 36462439 | 10.1016/j.ejmech.2022.114952 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine