Compound Detail
CHEMBL32362
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Basic Information
| ChEMBL ID | CHEMBL32362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYAQUBKYAKSHOA-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
270.4
MW (Da)
4.67
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.77
Ki 2 meas. best 6.38
IC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.38 | 6.38 | 416.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.65 | 5.65 | 2260.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.04 | 5.04 | 9010.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.63 | 4.63 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 170.0 | nM | 6.77 | Partial agonist activity at recombinant human CB2 receptor expressed in CHO cell... | 24900561 |
| Cannabinoid receptor 2 | Ki | = | 416.0 | nM | 6.38 | Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CH... | 24900561 |
| Cannabinoid receptor 1 | Ki | = | 2260.0 | nM | 5.65 | Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CH... | 24900561 |
| Cannabinoid receptor 1 | EC50 | = | 9010.0 | nM | 5.04 | Agonist activity at recombinant human CB1 receptor expressed in CHO cells assess... | 24900561 |
| HepG2 | IC50 | = | 23400.0 | nM | 4.63 | Cytotoxicity of compound against human liver tumor cell line (Hep-G2) was determ... | 15582432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900561 | 10.1021/ml300235q | Cannabinoid receptor 2 | 4 |
| 24900561 | 10.1021/ml300235q | Cannabinoid receptor 1 | 3 |
| 24900561 | 10.1021/ml300235q | G-protein coupled receptor 55 | 2 |
| 12668007 | 10.1016/s0960-894x(03)00156-2 | Calcium-activated potassium channel subunit alpha-1 | 1 |
| 12668007 | 10.1016/s0960-894x(03)00156-2 | No relevant target | 1 |
| 15582432 | 10.1016/j.bmcl.2004.10.011 | HepG2 | 1 |
| 24900561 | 10.1021/ml300235q | Monoglyceride lipase | 1 |
| 24900561 | 10.1021/ml300235q | Fatty-acid amide hydrolase 1 | 1 |
| 31278004 | 10.1016/j.bmc.2019.06.042 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine