Compound Detail
CHEMBL1259000
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 | CHEMBL1259000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUPICNWXPVNWII-RTBURBONSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
434.7
MW (Da)
6.62
ALogP
5
HBA
1
HBD
46.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.49 | 7.49 | 32.6 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.37 | 7.37 | 42.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 6.57 | nM | 8.18 | Displacement of [3H]CP55940 from rat brain CB1 receptor | 20925434 |
| Cannabinoid receptor 2 | Ki | = | 32.6 | nM | 7.49 | Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells | 20925434 |
| Cannabinoid receptor 2 | Ki | = | 42.3 | nM | 7.37 | Displacement of [3H]CP55940 from mouse spleen CB2 receptor | 20925434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20925434 | 10.1021/jm100641g | Cannabinoid receptor 2 | 2 |
| 20925434 | 10.1021/jm100641g | Cannabinoid receptor 1 | 1 |
| 20925434 | 10.1021/jm100641g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine