Compound Detail
CHEMBL2177264
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Basic Information
| ChEMBL ID | CHEMBL2177264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDCIQHUTWQLKJP-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
6.34
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.33
IC50 2 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.45 | 6.45 | 358.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.33 | 6.33 | 465.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.58 | 5.58 | 2630.0 | 2 |
| N-arachidonyl glycine receptor CHEMBL2384898 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 358.0 | nM | 6.45 | Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti... | 23679955 |
| Cannabinoid receptor 2 | Ki | = | 465.0 | nM | 6.33 | Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells afte... | 22916707 |
| Cannabinoid receptor 2 | Ki | = | 465.0 | nM | 6.33 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CH... | 33915369 |
| Cannabinoid receptor 1 | Ki | = | 2630.0 | nM | 5.58 | Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells afte... | 22916707 |
| Cannabinoid receptor 1 | Ki | = | 2630.0 | nM | 5.58 | Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in CH... | 33915369 |
| N-arachidonyl glycine receptor | IC50 | = | 8100.0 | nM | 5.09 | Antagonist activity at human GPR18 transfected in CHO cells assessed as delta9-T... | 23679955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 2 | 2 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 1 | 2 |
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 2 |
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 1 | 2 |
| 33915369 | 10.1016/j.ejmech.2021.113354 | Cannabinoid receptor 2 | 2 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 2 | 1 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 1 | 1 |
| 23679955 | 10.1021/jm4005175 | N-arachidonyl glycine receptor | 1 |
Data from ChEMBL 36 via Core Engine