Compound Detail
CHEMBL306529
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Basic Information
| ChEMBL ID | CHEMBL306529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBBNKINXTRKICJ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
6.52
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.54 | 8.54 | 2.9 | 2 |
| Cannabinoid receptor CHEMBL2096981 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.61 | 7.61 | 24.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 2.897 | nM | 8.54 | Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay | 19249138 |
| Cannabinoid receptor 2 | Ki | = | 2.9 | nM | 8.54 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor | Ki | = | 9.5 | nM | 8.02 | Binding affinity was determined in vitro against cannabinoid receptor by ability... | - |
| Cannabinoid receptor 1 | Ki | = | 9.506 | nM | 8.02 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay | 19249138 |
| Cannabinoid receptor 1 | Ki | = | 9.5 | nM | 8.02 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
| Sodium-dependent dopamine transporter | Ki | = | 24.6 | nM | 7.61 | Affinity Biochemical interaction: (Competitive binding assay with radiolabelled ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Unchecked | 2 |
| - | 10.6019/CHEMBL5723035 | Sodium-dependent dopamine transporter | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.1016/S0960-894X(01)80155-4 | Cannabinoid receptor | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 2 | 1 |
| 19249138 | 10.1016/j.ejmech.2009.01.026 | Cannabinoid receptor 1 | 1 |
| 10882356 | 10.1021/jm991074s | Cannabinoid receptor 2 | 1 |
| 10882356 | 10.1021/jm991074s | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine