Compound Detail
CHEMBL3986579
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Basic Information
| ChEMBL ID | CHEMBL3986579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMFOIFSQAVUIAT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
4.60
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 6.31 | nM | 8.2 | Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell ... | 27992221 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 251.19 | nM | 6.6 | Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based ... | 27992221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Monoacylglycerol lipase ABHD6 | 1 |
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine