Compound Detail
CHEMBL1891894
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Basic Information
| ChEMBL ID | CHEMBL1891894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGRUIUDIVFCWMX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.79
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| sn-1-specific diacylglycerol lipase ABHD11 CHEMBL2189134 | IC50 | 9.17 | 8.495 | 0.7 | 2 |
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 7.2 | 7.2 | 63.1 | 1 |
| Diacylglycerol lipase-beta CHEMBL5656 | IC50 | 4.9 | 4.9 | 12589.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| sn-1-specific diacylglycerol lipase ABHD11 | IC50 | = | 0.68 | nM | 9.17 | Affinity On-target Cellular interaction: (Fluorescence-based cell-based gel-base... | - |
| sn-1-specific diacylglycerol lipase ABHD11 | IC50 | = | 15.0 | nM | 7.82 | Affinity Biochemical interaction: (fluorescence-based biochemical gel-based Acti... | - |
| Diacylglycerol lipase-alpha | IC50 | = | 63.1 | nM | 7.2 | Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell ... | 27992221 |
| Diacylglycerol lipase-beta | IC50 | = | 12589.25 | nM | 4.9 | Inhibition of recombinant mouse DAGLbeta expressed in HEK293T cell membranes usi... | 27992221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| 25558349 | 10.1039/c3md00333g | sn-1-specific diacylglycerol lipase ABHD11 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5723379 | sn-1-specific diacylglycerol lipase ABHD11 | 1 |
| - | 10.6019/CHEMBL5723035 | sn-1-specific diacylglycerol lipase ABHD11 | 1 |
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Diacylglycerol lipase-alpha | 1 |
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Diacylglycerol lipase-beta | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 1 | 1 |
| 25558349 | 10.1039/c3md00333g | Acyl-protein thioesterase 2 | 1 |
Data from ChEMBL 36 via Core Engine