Compound Detail
CHEMBL3221197
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Basic Information
| ChEMBL ID | CHEMBL3221197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYPYKTGWUCNEDE-RGEXLXHISA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
364.5
MW (Da)
4.33
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.74
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.74 | 5.74 | 1810.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.7 | 5.7 | 2010.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.67 | 5.67 | 2130.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL2384898 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1810.0 | nM | 5.74 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HE... | - |
| Cannabinoid receptor 1 | Ki | = | 2010.0 | nM | 5.7 | Displacement of [3H]CP55,940 from CB1 receptor in rat brain cortical membranes | - |
| Cannabinoid receptor 1 | Ki | = | 2130.0 | nM | 5.67 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CH... | - |
| N-arachidonyl glycine receptor | IC50 | = | 10000.0 | nM | 5.0 | Antagonist activity against human GPR18 expressed in CHO cells assessed as reduc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00394A | Cannabinoid receptor 1 | 4 |
| - | 10.1039/C3MD00394A | Cannabinoid receptor 2 | 3 |
| - | 10.1039/C3MD00394A | G-protein coupled receptor 55 | 3 |
| - | 10.1039/C3MD00394A | N-arachidonyl glycine receptor | 3 |
Data from ChEMBL 36 via Core Engine