Compound Detail
CHEMBL4862731
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Basic Information
| ChEMBL ID | CHEMBL4862731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYQFCXCEBYINGO-DLBZAZTESA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.74
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.54
Ki 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.32 | 5.32 | 4750.0 | 1 |
| Lysophosphatidylserine lipase ABHD12 CHEMBL5516 | IC50 | 4.54 | 4.54 | 28800.0 | 1 |
| Monoacylglycerol lipase ABHD6 CHEMBL2189127 | IC50 | 4.46 | 4.46 | 35100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2900.0 | nM | 5.54 | Displacement of [3H]CP55940 from human CB1 receptor transfected in CHO cells mea... | 34304557 |
| Cannabinoid receptor 2 | Ki | = | 4750.0 | nM | 5.32 | Displacement of [3H]CP55940 from human CB2 receptor transfected in CHO cells mea... | 34304557 |
| Lysophosphatidylserine lipase ABHD12 | IC50 | = | 28800.0 | nM | 4.54 | Inhibition of human ABHD12 transfected in HEK293 cells using 2-OG as substrate p... | 34304557 |
| Monoacylglycerol lipase ABHD6 | IC50 | = | 35100.0 | nM | 4.46 | Inhibition of human ABHD6 transfected in HEK293 cells using 2-OG as substrate pr... | 34304557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34304557 | 10.1021/acs.jnatprod.1c00513 | Cannabinoid receptor 1 | 2 |
| 34304557 | 10.1021/acs.jnatprod.1c00513 | Cannabinoid receptor 2 | 2 |
| 34304557 | 10.1021/acs.jnatprod.1c00513 | Fatty-acid amide hydrolase 1 | 1 |
| 34304557 | 10.1021/acs.jnatprod.1c00513 | Monoglyceride lipase | 1 |
| 34304557 | 10.1021/acs.jnatprod.1c00513 | Monoacylglycerol lipase ABHD6 | 1 |
| 34304557 | 10.1021/acs.jnatprod.1c00513 | Lysophosphatidylserine lipase ABHD12 | 1 |
Data from ChEMBL 36 via Core Engine