Compound Detail
CHEMBL3221201
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3221201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHWVZMKQQBJZQV-ODLFYWEKSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
5.64
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.78
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.78 | 5.78 | 1650.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.6 | 5.6 | 2530.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.5 | 5.5 | 3180.0 | 1 |
| N-arachidonyl glycine receptor CHEMBL2384898 | IC50 | 5.34 | 5.34 | 4610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1650.0 | nM | 5.78 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HE... | - |
| Cannabinoid receptor 1 | Ki | = | 2530.0 | nM | 5.6 | Displacement of [3H]CP55,940 from CB1 receptor in rat brain cortical membranes | - |
| Cannabinoid receptor 1 | Ki | = | 3180.0 | nM | 5.5 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CH... | - |
| N-arachidonyl glycine receptor | IC50 | = | 4610.0 | nM | 5.34 | 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 |
| - | 10.1039/C3MD00394A | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine