Compound Detail
CHEMBL123120
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Basic Information
| ChEMBL ID | CHEMBL123120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITLCTBDDFRBMKO-ACKVAEFOSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.7
MW (Da)
7.05
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
EC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor CHEMBL2111385 | Ki | 8.77 | 7.715 | 1.7 | 2 |
| Mus musculus CHEMBL375 | EC50 | 7.22 | 7.22 | 60.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor | Ki | = | 1.7 | nM | 8.77 | Binding affinity towards cannabinoid receptor using [3H]CP-55940 as radioligand ... | 9357529 |
| Mus musculus | EC50 | = | 60.6 | nM | 7.22 | Effective concentration that causes twitch inhibition in a mouse vas deferens as... | 9357529 |
| Cannabinoid receptor | Ki | = | 220.0 | nM | 6.66 | Binding affinity towards cannabinoid receptor using [3H]SR-141,716A as radioliga... | 9357529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357529 | 10.1021/jm9702950 | Mus musculus | 10 |
| 9357529 | 10.1021/jm9702950 | Cannabinoid receptor | 2 |
Data from ChEMBL 36 via Core Engine