Compound Detail
CHEMBL3906477
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Basic Information
| ChEMBL ID | CHEMBL3906477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKJMWHULJIOKPJ-RUZDIDTESA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
5.68
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha CHEMBL5545 | IC50 | 9.1 | 8.6 | 0.8 | 3 |
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 8.6 | 8.6 | 2.5 | 3 |
| Diacylglycerol lipase-alpha CHEMBL5180 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol lipase-alpha | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of full length recombinant human DAGLalpha expressed in HEK293T cell ... | 27992221 |
| Diacylglycerol lipase-alpha | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of recombinant human DAGLalpha expressed in HEK293 cells using PNP-bu... | 30108813 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 2.512 | nM | 8.6 | Inhibition of human ABHD6 using 2-AG as natural substrate by fluorescence based ... | 27992221 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 2.512 | nM | 8.6 | Inhibition of recombinant human ABHD6 expressed in HEK293 cells by AmplifuTM red... | 30108813 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 2.5 | nM | 8.6 | Inhibition of human recombinant ABHD6 | 32371333 |
| Diacylglycerol lipase-alpha | IC50 | = | 7.943 | nM | 8.1 | Inhibition of MB064 probe binding to DAGLalpha in mouse brain membrane proteome ... | 27992221 |
| Diacylglycerol lipase-alpha | IC50 | = | 25.12 | nM | 7.6 | Inhibition of recombinant human DAGLalpha expressed in HEK293T cell membranes ov... | 27992221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Diacylglycerol lipase-alpha | 3 |
| 30108813 | 10.1039/C7MD00029D | Diacylglycerol lipase-alpha | 2 |
| 30108813 | 10.1039/C7MD00029D | Monoacylglycerol lipase ABHD6 | 2 |
| 32371333 | 10.1016/j.ejmech.2020.112353 | Monoacylglycerol lipase ABHD6 | 2 |
| 27992221 | 10.1021/acs.jmedchem.6b01482 | Monoacylglycerol lipase ABHD6 | 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