Compound Detail
CHEMBL483543
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Basic Information
| ChEMBL ID | CHEMBL483543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMHYLSJQTABXPG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
5.50
ALogP
3
HBA
0
HBD
38.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.15 | 9.125 | 0.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 99.0 | % | Rattus norvegicus |
| F | 50.0 | % | Rattus norvegicus |
| T1/2 | 3.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.7 | nM | 9.15 | Binding affinity to CB1 receptor | 19351113 |
| Cannabinoid receptor 1 | Ki | = | 0.8 | nM | 9.1 | Antagonist activity at human CB1 receptor expressed in CHOK1 cells assessed as i... | 19351113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19351113 | 10.1021/jm900255t | Rattus norvegicus | 9 |
| 19351113 | 10.1021/jm900255t | Mus musculus | 4 |
| 19351113 | 10.1021/jm900255t | ADMET | 3 |
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 1 | 2 |
| 19351113 | 10.1021/jm900255t | No relevant target | 2 |
| 19351113 | 10.1021/jm900255t | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine