Compound Detail
CHEMBL3221196
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Basic Information
| ChEMBL ID | CHEMBL3221196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVJJGIOLTJZDSD-JXAWBTAJSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
4.55
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.8
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.44 | 5.44 | 3630.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL2384898 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1600.0 | nM | 5.8 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CH... | - |
| Cannabinoid receptor 1 | Ki | = | 3630.0 | nM | 5.44 | Displacement of [3H]CP55,940 from CB1 receptor in rat brain cortical membranes | - |
| N-arachidonyl glycine receptor | IC50 | = | 14100.0 | nM | 4.85 | 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 | 2 |
Data from ChEMBL 36 via Core Engine