Compound Detail
CHEMBL524087
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Basic Information
| ChEMBL ID | CHEMBL524087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICLCHVCUUGMJML-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
472.8
MW (Da)
7.19
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.82 | 8.485 | 1.5 | 2 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24000.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 28000.0 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1.5 | nM | 8.82 | Antagonist activity against human CB1 receptor expressed in CHO-K1 cells by [35S... | 19102698 |
| Cannabinoid receptor 1 | Ki | = | 7.1 | nM | 8.15 | Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells | 19102698 |
| Cannabinoid receptor 1 | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]SR141716A from CB1 receptor in rat brain | 19102698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19102698 | 10.1021/jm8012932 | No relevant target | 3 |
| 19102698 | 10.1021/jm8012932 | Cannabinoid receptor 1 | 3 |
| 19102698 | 10.1021/jm8012932 | Liver microsomes | 2 |
| 19102698 | 10.1021/jm8012932 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine