Compound Detail
CHEMBL193331
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Basic Information
| ChEMBL ID | CHEMBL193331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVKVVCGMDQQSPX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
5.65
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 9.15 | 9.15 | 0.7 | 1 |
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 | In vitro binding affinity against rat cannabinoid receptor 1 using 0.5 nM [3H]CP... | 16134948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134948 | 10.1021/jm0502743 | Cannabinoid receptor 1 | 1 |
| 16134948 | 10.1021/jm0502743 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine