Compound Detail
CHEMBL232782
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Basic Information
| ChEMBL ID | CHEMBL232782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHAHTHILLRCRBM-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
7.01
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.7
IC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.77 | 8.7233 | 1.7 | 3 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Cytosolic phospholipase A2 CHEMBL3816 | Ki | 4.82 | 4.82 | 15000.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 4.64 | 4.64 | 23000.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of human FAAH expressed in human H4 cells | 20036536 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human FAAH expressed in H4 cells | 17459705 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of FAAH | 18983142 |
| Fatty-acid amide hydrolase 1 | Ki | = | 2.0 | nM | 8.7 | Inhibition of rat cortex FAAH by [3H]anandamide carbon filtration assay | 19072118 |
| Cytosolic phospholipase A2 | Ki | = | 15000.0 | nM | 4.82 | Inhibition of cPLA2 activity | 17459705 |
| Cannabinoid receptor 1 | Ki | = | 23000.0 | nM | 4.64 | Displacement of [3H]CP-55940 from CB1 receptor expressed in HEK cells | 17459705 |
| Cannabinoid receptor 2 | Ki | = | 28000.0 | nM | 4.55 | Displacement of [3H]CP-55940 from CB2 receptor expressed in CHO cells | 17459705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17459705 | 10.1016/j.bmcl.2007.04.009 | Rattus norvegicus | 4 |
| 17459705 | 10.1016/j.bmcl.2007.04.009 | Fatty-acid amide hydrolase 1 | 1 |
| 17459705 | 10.1016/j.bmcl.2007.04.009 | Cytosolic phospholipase A2 | 1 |
| 17459705 | 10.1016/j.bmcl.2007.04.009 | Cannabinoid receptor 1 | 1 |
| 17459705 | 10.1016/j.bmcl.2007.04.009 | Cannabinoid receptor 2 | 1 |
| 19072118 | 10.1021/jm801042a | Fatty-acid amide hydrolase 1 | 1 |
| 18983142 | 10.1021/jm800311k | Fatty-acid amide hydrolase 1 | 1 |
| 20036536 | 10.1016/j.bmcl.2009.11.080 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine