Compound Detail
CHEMBL2387535
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Basic Information
| ChEMBL ID | CHEMBL2387535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYQVJJRCWZSDNK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.01
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.03
Ki 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.47 | 5.47 | 3420.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.03 | 5.03 | 9320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3420.0 | nM | 5.47 | Displacement of [3H]-CP55,940 from human CB2 receptor transfected in CHOK1 cells | 23679955 |
| G-protein coupled receptor 55 | IC50 | = | 9320.0 | nM | 5.03 | Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti... | 23679955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 2 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 1 | 2 |
| 23679955 | 10.1021/jm4005175 | N-arachidonyl glycine receptor | 2 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine