Compound Detail
CHEMBL4539849
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Basic Information
| ChEMBL ID | CHEMBL4539849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTQGNKUZJLDWLY-DARPEHSRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
5.65
ALogP
5
HBA
1
HBD
54.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.6 | 6.6 | 251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 251.0 | nM | 6.6 | Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell memb... | 30583970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30583970 | 10.1016/j.ejmech.2018.12.008 | Cannabinoid receptor 2 | 2 |
| 30583970 | 10.1016/j.ejmech.2018.12.008 | Cannabinoid receptor 1 | 1 |
| 30583970 | 10.1016/j.ejmech.2018.12.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine