Compound Detail
CHEMBL3894652
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Basic Information
| ChEMBL ID | CHEMBL3894652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZQAMWCNBVODHQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
360.5
MW (Da)
4.84
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell ... | 27992221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Diacylglycerol lipase-alpha | 1 |
Data from ChEMBL 36 via Core Engine