Compound Detail
CHEMBL3263582
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Basic Information
| ChEMBL ID | CHEMBL3263582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSSCOJOXPDDHOO-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
5.38
ALogP
5
HBA
1
HBD
88.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 CHEMBL5010 | IC50 | 9.7 | 9.1775 | 0.2 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Monoacylglycerol lipase ABHD6 | IC50 | = | 0.2 | nM | 9.7 | In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by ABPP-SILAC-bas... | 24152295 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 0.31 | nM | 9.51 | In situ inhibition of ABHD6 in mouse Neuro2a cells after 4 hrs by gel-based comp... | 24152295 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 0.82 | nM | 9.09 | Inhibition of ABHD6 in FP-rhodamine-labelled mouse brain membrane preincubated f... | 24152295 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 3.9 | nM | 8.41 | Inhibition of recombinant mouse ABHD6 expressed in HEK293T using 2-arachidonoylg... | 24152295 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24152295 | 10.1021/jm400899c | Mus musculus | 12 |
| 24152295 | 10.1021/jm400899c | Monoacylglycerol lipase ABHD6 | 8 |
| 24152295 | 10.1021/jm400899c | Fatty-acid amide hydrolase 1 | 2 |
| 24152295 | 10.1021/jm400899c | Diacylglycerol lipase-beta | 2 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| 24152295 | 10.1021/jm400899c | Putative hydrolase RBBP9 | 1 |
| 24152295 | 10.1021/jm400899c | Lon protease homolog, mitochondrial | 1 |
| 24152295 | 10.1021/jm400899c | Palmitoyl-protein thioesterase ABHD10, mitochondrial | 1 |
| 24152295 | 10.1021/jm400899c | sn-1-specific diacylglycerol lipase ABHD11 | 1 |
| 24152295 | 10.1021/jm400899c | Acyl-protein thioesterase 2 | 1 |
| 24152295 | 10.1021/jm400899c | Marginal zone B- and B1-cell-specific protein | 1 |
| 24152295 | 10.1021/jm400899c | Protein phosphatase methylesterase 1 | 1 |
| 24152295 | 10.1021/jm400899c | Dipeptidyl peptidase 9 | 1 |
| 24152295 | 10.1021/jm400899c | Acyl-protein thioesterase 1 | 1 |
| 24152295 | 10.1021/jm400899c | S-formylglutathione hydrolase | 1 |
| 24152295 | 10.1021/jm400899c | Platelet-activating factor acetylhydrolase IB subunit alpha1 | 1 |
| 24152295 | 10.1021/jm400899c | Acylamino-acid-releasing enzyme | 1 |
| 24152295 | 10.1021/jm400899c | Tripeptidyl-peptidase 2 | 1 |
| 24152295 | 10.1021/jm400899c | Prolyl endopeptidase | 1 |
| 24152295 | 10.1021/jm400899c | Platelet-activating factor acetylhydrolase IB subunit alpha2 | 1 |
Data from ChEMBL 36 via Core Engine