Compound Detail
CHEMBL39335
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Basic Information
| ChEMBL ID | CHEMBL39335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAURYYBKRXAKAX-DOFZRALJSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
7.08
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
IC50 1 meas. best 5.48
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 400.0 | nM | 6.4 | Binding affinity against G protein coupled human Cannabinoid receptor 2 using [3... | 12672252 |
| Unchecked | EC50 | = | 1800.0 | nM | 5.75 | Inhibition of anandamide membrane transporter in human U937 cells assessed as in... | 24900793 |
| Homo sapiens | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of [3H]anandamide transport(ANT) in human lymphoma U937 cell | 12672252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672252 | 10.1021/jm0210818 | Homo sapiens | 2 |
| 12672252 | 10.1021/jm0210818 | Fatty-acid amide hydrolase 1 | 2 |
| 24900793 | 10.1021/ml400435h | Unchecked | 2 |
| 12672252 | 10.1021/jm0210818 | Cannabinoid receptor 1 | 1 |
| 12672252 | 10.1021/jm0210818 | Cannabinoid receptor 2 | 1 |
| 12672252 | 10.1021/jm0210818 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine