Compound Detail
CHEMBL334533
DEXANABINOL 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL334533 |
| Name | DEXANABINOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | SSQJFGMEZBFMNV-PMACEKPBSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
8
Known Names
4
Indications
Molecular Properties
386.6
MW (Da)
6.22
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Brain Injuries Brain Neoplasms Neoplasms Neoplasms
Activity Summary
Ki 6 meas. best 7.73
EC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 9.6 | 9.6 | 0.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 9.22 | 9.22 | 0.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.73 | 7.725 | 18.6 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.44 | 6.07 | 360.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 0.2512 | nM | 9.6 | Agonist activity at human CB2 receptor transfected in CHO cells by [35]GTPgamma ... | 16279774 |
| Cannabinoid receptor 1 | EC50 | = | 0.6 | nM | 9.22 | Activity at human CB1 receptor by [35S]GTP-gamma-S binding stimulation assay | 16279809 |
| Cannabinoid receptor 1 | Ki | = | 18.6 | nM | 7.73 | Inhibition of [3H]SR-141,716A binding to human CB1 receptor expressed in CHO cel... | 15801840 |
| Cannabinoid receptor 1 | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells | 16279809 |
| Cannabinoid receptor 2 | Ki | = | 150.0 | nM | 6.82 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells | 16279794 |
| Cannabinoid receptor 1 | Ki | = | 360.0 | nM | 6.44 | Displacement of [3H]CP-55940 binding to Cannabinoid receptor 1 in rat brain memb... | 9784095 |
| Cannabinoid receptor 1 | Ki | = | 1990.0 | nM | 5.7 | Displacement of [3H]-CP55940 from rat CB1 receptor by liquid scintillation spect... | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279809 | 10.1021/jm0503906 | Cannabinoid receptor 1 | 4 |
| 15801840 | 10.1021/jm049263k | Cannabinoid receptor 1 | 2 |
| 16279774 | 10.1021/jm050565b | Cannabinoid receptor 2 | 2 |
| 9784095 | 10.1021/jm970239z | Cannabinoid receptor 1 | 1 |
| 16279794 | 10.1021/jm0501533 | Cannabinoid receptor 2 | 1 |
| 16279809 | 10.1021/jm0503906 | Cannabinoid receptor 2 | 1 |
| 17561406 | 10.1016/j.bmc.2007.05.060 | Cannabinoid receptor 2 | 1 |
| 23865723 | 10.1021/jm4005626 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine