Compound Detail
CHEMBL4757488
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Basic Information
| ChEMBL ID | CHEMBL4757488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIIQJQXIDJSXLH-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
5.60
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.19
IC50 2 meas. best 6.28
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.19 | 8.19 | 6.5 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.54 | 7.54 | 28.9 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.31 | 7.31 | 49.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.92 | 6.92 | 119.6 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Lysophosphatidylserine lipase ABHD12 CHEMBL5516 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 6.45 | nM | 8.19 | Inverse agonist activity at human CB2R expressed in CHO cell membranes after 90 ... | 33002735 |
| Cannabinoid receptor 2 | Ki | = | 28.9 | nM | 7.54 | Displacement of [3H]CP55940 from recombinant human CB2R expressed in CHO cell me... | 33002735 |
| Cannabinoid receptor 1 | Ki | = | 49.3 | nM | 7.31 | Displacement of [3H]CP55940 from recombinant human CB1R expressed in CHO cell me... | 33002735 |
| Cannabinoid receptor 1 | EC50 | = | 119.6 | nM | 6.92 | Partial agonist activity at human CB1R expressed in CHO cell membranes after 90 ... | 33002735 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of FAAH in human U937 cells using [ethanolamine-1-3H]AEA as substrate... | 33002735 |
| Lysophosphatidylserine lipase ABHD12 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human ABHD12 expressed in HEK293 cells using 2-OG as substrate pre... | 33002735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33002735 | 10.1016/j.ejmech.2020.112858 | Cannabinoid receptor 1 | 2 |
| 33002735 | 10.1016/j.ejmech.2020.112858 | Cannabinoid receptor 2 | 2 |
| 33002735 | 10.1016/j.ejmech.2020.112858 | Fatty-acid amide hydrolase 1 | 1 |
| 33002735 | 10.1016/j.ejmech.2020.112858 | Monoglyceride lipase | 1 |
| 33002735 | 10.1016/j.ejmech.2020.112858 | Monoacylglycerol lipase ABHD6 | 1 |
| 33002735 | 10.1016/j.ejmech.2020.112858 | Lysophosphatidylserine lipase ABHD12 | 1 |
Data from ChEMBL 36 via Core Engine