Compound Detail
CHEMBL429797
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Basic Information
| ChEMBL ID | CHEMBL429797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWKBVEVEQOCSCF-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
5.61
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.09 | 9.09 | 0.8 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.4 | 6.4 | 400.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.82 | nM | 9.09 | Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membranes | 18038967 |
| Cannabinoid receptor 2 | Ki | = | 0.82 | nM | 9.09 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor | 19143566 |
| Cannabinoid receptor 2 | Ki | = | 0.82 | nM | 9.09 | Binding affinity to CB2 (unknown origin) | 27494166 |
| Cannabinoid receptor 1 | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomes | 18038967 |
| Cannabinoid receptor 1 | Ki | = | 400.0 | nM | 6.4 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor | 19143566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18038967 | 10.1021/jm070441u | Cannabinoid receptor 2 | 3 |
| 18038967 | 10.1021/jm070441u | Rattus norvegicus | 2 |
| 18038967 | 10.1021/jm070441u | Cannabinoid receptor 1 | 1 |
| 18038967 | 10.1021/jm070441u | Unchecked | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 1 | 1 |
| 19143566 | 10.1021/jm801044g | Cannabinoid receptor 2 | 1 |
| 19143566 | 10.1021/jm801044g | Unchecked | 1 |
| 27494166 | 10.1016/j.ejmech.2016.07.057 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine