Compound Detail
CHEMBL294472
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Basic Information
| ChEMBL ID | CHEMBL294472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AARQDCQBCMFBPF-PMACEKPBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
384.6
MW (Da)
6.43
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.01 | 7.01 | 97.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.93 | 6.93 | 118.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 97.0 | nM | 7.01 | Binding affinity against human cannabinoid receptor by using radioligand ([3H]CP... | - |
| Cannabinoid receptor 2 | Ki | = | 118.6 | nM | 6.93 | Binding affinity against human Cannabinoid receptor 2 by using radioligand ([3H]... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor 2 | 1 |
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00573-C | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine