Compound Detail
CHEMBL200113
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Basic Information
| ChEMBL ID | CHEMBL200113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLWBHADJSFOWAR-FARPMTRTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.7
MW (Da)
6.92
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 39810.72 | nM | 4.4 | Displacement of [35S]GTP-gamma-S from rat cerebellar CB1 receptor | 16420041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16420041 | 10.1021/jm0505157 | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine