Compound Detail
CHEMBL3356976
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Basic Information
| ChEMBL ID | CHEMBL3356976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVSCNEOUWSVZEY-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
5.23
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 8.43 | 7.5633 | 3.7 | 3 |
| Monoglyceride lipase CHEMBL5774 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Monoglyceride lipase CHEMBL3321 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 3.7 | nM | 8.43 | Inhibition of recombinant human full length MAGL expressed in HEK293 cells prein... | 27766867 |
| Monoglyceride lipase | IC50 | = | 7.6 | nM | 8.12 | Inhibition of mouse MAGL preincubated for 30 mins followed by FP-Rh addition aft... | 27766867 |
| Monoglyceride lipase | IC50 | = | 14.0 | nM | 7.85 | Inhibition of rat MAGL preincubated for 30 mins followed by FP-Rh addition after... | 27766867 |
| Monoglyceride lipase | IC50 | = | 74.13 | nM | 7.13 | Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as sub... | 25282655 |
| Monoglyceride lipase | IC50 | = | 74.0 | nM | 7.13 | Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as sub... | 25282655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27766867 | 10.1021/acs.jmedchem.6b00538 | Monoglyceride lipase | 3 |
| 25282655 | 10.1016/j.bmc.2014.09.012 | Monoglyceride lipase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 25282655 | 10.1016/j.bmc.2014.09.012 | Fatty-acid amide hydrolase 1 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine