Compound Detail
CHEMBL190043
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Basic Information
| ChEMBL ID | CHEMBL190043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INYRYOBBDZMTPK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
5.15
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.66 | 5.66 | 2188.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2188.0 | nM | 5.66 | Inhibition of [3H]SR-141,716A binding to human CB1 receptor expressed in CHO cel... | 15801840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801840 | 10.1021/jm049263k | Cannabinoid receptor 1 | 3 |
| 15801840 | 10.1021/jm049263k | Cannabinoid receptor 2 | 1 |
| 16392827 | 10.1021/jm050977k | Fatty-acid amide hydrolase 1 | 1 |
| 16392827 | 10.1021/jm050977k | Cannabinoid receptor 1 | 1 |
| 16392827 | 10.1021/jm050977k | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine