Compound Detail
CHEMBL1641955
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 | CHEMBL1641955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYNDAVSIFQBMTC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.0
MW (Da)
6.06
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.29 | 7.29 | 51.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells afte... | 20979417 |
| Cannabinoid receptor 1 | Ki | = | 51.2 | nM | 7.29 | Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells af... | 20979417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 1 | 1 |
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 2 | 1 |
| 20979417 | 10.1021/jm100286k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine