Compound Detail
CHEMBL225506
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Basic Information
| ChEMBL ID | CHEMBL225506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFHZHCKWTBGPFD-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
6.29
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.28
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.28 | 8.28 | 5.2 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.89 | 7.89 | 13.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 5.2 | nM | 8.28 | Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells | 16279794 |
| Cannabinoid receptor 1 | Ki | = | 5.2 | nM | 8.28 | Binding affinity to human recombinant CB1 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 1 | Ki | = | 5.2 | nM | 8.28 | Displacement of [3H]-CP55940 from human recombinant CB1 receptor expressed in HE... | 32340793 |
| Cannabinoid receptor 2 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells | 16279794 |
| Cannabinoid receptor 2 | Ki | = | 13.0 | nM | 7.89 | Binding affinity to human recombinant CB2 receptor expressed in african green mo... | 19331413 |
| Cannabinoid receptor 2 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in HE... | 32340793 |
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of anandamide membrane transporter in RBL-2H3 cells assessed as [14C]... | 16279794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279794 | 10.1021/jm0501533 | Cannabinoid receptor 1 | 2 |
| 16279794 | 10.1021/jm0501533 | Cannabinoid receptor 2 | 1 |
| 16279794 | 10.1021/jm0501533 | Unchecked | 1 |
| 19331413 | 10.1021/jm8016255 | Cannabinoid receptor 1 | 1 |
| 19331413 | 10.1021/jm8016255 | Cannabinoid receptor 2 | 1 |
| 19331413 | 10.1021/jm8016255 | Unchecked | 1 |
| 32340793 | 10.1016/j.bmc.2020.115513 | Cannabinoid receptor 1 | 1 |
| 32340793 | 10.1016/j.bmc.2020.115513 | Cannabinoid receptor 2 | 1 |
| 32340793 | 10.1016/j.bmc.2020.115513 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine