Compound Detail
CHEMBL4470017
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
CCCCCCCCCCCC(C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@@H](NC=O)C(C)CC
Basic Information
| ChEMBL ID | CHEMBL4470017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBHKWVNFZKJLIS-IOTGUOLXSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.8
MW (Da)
6.88
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.09
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Ki 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-beta CHEMBL5521 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-beta | IC50 | = | 6.31 | nM | 8.2 | Inhibition of human GST-tagged DAGLbeta catalytic domain expressed in HEK293F ce... | 27394666 |
| Cannabinoid receptor 1 | Ki | = | 6000.0 | nM | 5.22 | Antagonist activity at CBR1 (unknown origin) | 27394666 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27394666 | 10.1016/j.bmcl.2016.06.076 | Diacylglycerol lipase-beta | 1 |
| 27394666 | 10.1016/j.bmcl.2016.06.076 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine