Compound Detail
CHEMBL4279884
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Basic Information
| ChEMBL ID | CHEMBL4279884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBUUMNUVDZLXOD-AREMUKBSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.65
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 | IC50 | = | 3.162 | nM | 8.5 | Inhibition of recombinant human ABHD6 expressed in HEK293 cells by AmplifuTM red... | 30108813 |
| Diacylglycerol lipase-alpha | IC50 | = | 79.43 | nM | 7.1 | Inhibition of recombinant human DAGLalpha expressed in HEK293 cells using PNP-bu... | 30108813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108813 | 10.1039/C7MD00029D | Diacylglycerol lipase-alpha | 2 |
| 30108813 | 10.1039/C7MD00029D | Monoacylglycerol lipase ABHD6 | 2 |
| 30108813 | 10.1039/C7MD00029D | Phospholipase DDHD2 | 1 |
Data from ChEMBL 36 via Core Engine