Compound Detail
CHEMBL4581240
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
CC(C)(C)OC(=O)N1CCN(C(=O)n2cc(-c3ccc(OC(F)(F)F)cc3)nn2)C(Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL4581240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQGMWUWJVBKTRM-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
4.98
ALogP
7
HBA
0
HBD
89.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Diacylglycerol lipase-beta CHEMBL5656 | IC50 | 8.6 | 8.35 | 2.5 | 2 |
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL5010 | IC50 | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 0.5012 | nM | 9.3 | Inhibition human DAGLalpha expressed in HEK293T cell membrane fractions using DA... | 27394666 |
| Diacylglycerol lipase-beta | IC50 | = | 2.512 | nM | 8.6 | Inhibition mouse DAGLbeta expressed in HEK293T cell membrane fractions using DAG... | 27394666 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of human recombinant ABHD6 | 32371333 |
| Diacylglycerol lipase-beta | IC50 | = | 7.943 | nM | 8.1 | Inhibition of mouse DAGLbeta expressed in HEK293T cell membranes using SAG as su... | 27394666 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 79.0 | nM | 7.1 | Inhibition of ABHD6 in mouse brain membrane using HT-01 probe as substrate incub... | 32371333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27394666 | 10.1016/j.bmcl.2016.06.076 | Diacylglycerol lipase-beta | 2 |
| 32371333 | 10.1016/j.ejmech.2020.112353 | Monoacylglycerol lipase ABHD6 | 2 |
| 27394666 | 10.1016/j.bmcl.2016.06.076 | Diacylglycerol lipase-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
Data from ChEMBL 36 via Core Engine