Compound Detail
CHEMBL3319624
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Basic Information
| ChEMBL ID | CHEMBL3319624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIUHSZUJJPGEKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.3
MW (Da)
5.06
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human DAGLalpha expressed in HEK293T cell membranes | 24988361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24988361 | 10.1021/jm500681z | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine