Compound Detail
CHEMBL3764093
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O)CN(C1(c2cccc(-c3ccc(Cl)cc3Cl)c2)CCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL3764093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPFGGRNVBDOVRS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
559.3
MW (Da)
7.12
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Diacylglycerol lipase-beta CHEMBL5521 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 6.0 | nM | 8.22 | Inhibition of full length human C-terminal HA-tagged DAGLalpha expressed in HEK2... | 26917221 |
| Diacylglycerol lipase-beta | IC50 | = | 80.0 | nM | 7.1 | Inhibition of DAGLbeta (unknown origin) | 26917221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26917221 | 10.1016/j.bmc.2016.02.006 | Diacylglycerol lipase-alpha | 1 |
| 26917221 | 10.1016/j.bmc.2016.02.006 | Monoglyceride lipase | 1 |
| 26917221 | 10.1016/j.bmc.2016.02.006 | Diacylglycerol lipase-beta | 1 |
| 26917221 | 10.1016/j.bmc.2016.02.006 | Unchecked | 1 |
| 26917221 | 10.1016/j.bmc.2016.02.006 | Pancreatic triacylglycerol lipase | 1 |
Data from ChEMBL 36 via Core Engine