Compound Detail
CHEMBL3356971
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Basic Information
| ChEMBL ID | CHEMBL3356971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPBUDCFJCZABOH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
2.86
ALogP
6
HBA
0
HBD
63.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoglyceride lipase CHEMBL4191 | IC50 | 9.26 | 9.24 | 0.5 | 2 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.57 | 8.57 | 2.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoglyceride lipase | IC50 | = | 0.5495 | nM | 9.26 | Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as sub... | 25282655 |
| Monoglyceride lipase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as sub... | 25282655 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2.692 | nM | 8.57 | Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as... | 25282655 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2.7 | nM | 8.57 | Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as... | 25282655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25282655 | 10.1016/j.bmc.2014.09.012 | Monoglyceride lipase | 2 |
| 25282655 | 10.1016/j.bmc.2014.09.012 | Fatty-acid amide hydrolase 1 | 2 |
| 25282655 | 10.1016/j.bmc.2014.09.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine