Compound Detail
CHEMBL1641963
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Basic Information
| ChEMBL ID | CHEMBL1641963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBOANNUIQUGQQJ-ZWKOTPCHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.87
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.76
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.84
Ki 1 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.69 | 7.69 | 20.3 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.84 | 6.84 | 145.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 20.3 | nM | 7.69 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells afte... | 20979417 |
| Cannabinoid receptor 2 | EC50 | = | 145.6 | nM | 6.84 | Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimul... | 20979417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 2 | 3 |
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine