Compound Detail
CHEMBL2177263
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 | CHEMBL2177263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGVMJRRAQJNWAN-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
6.64
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.84
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.84 | 5.84 | 1430.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.38 | 5.38 | 4120.0 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | 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 1 | Ki | = | 1430.0 | nM | 5.84 | Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells afte... | 22916707 |
| Cannabinoid receptor 1 | Ki | = | 1430.0 | nM | 5.84 | Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CH... | 33915369 |
| Cannabinoid receptor 2 | Ki | = | 4120.0 | nM | 5.38 | Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells afte... | 22916707 |
| Cannabinoid receptor 2 | Ki | = | 4120.0 | nM | 5.38 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CH... | 33915369 |
| G-protein coupled receptor 55 | IC50 | = | 10000.0 | nM | 5.0 | 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 | 3 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 2 | 2 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 1 | 2 |
| 23679955 | 10.1021/jm4005175 | N-arachidonyl glycine receptor | 2 |
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 1 | 2 |
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine