Compound Detail
CHEMBL201520
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Basic Information
| ChEMBL ID | CHEMBL201520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBUPTNCPDJNCQD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.2
MW (Da)
4.39
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]SR-141716 from human CB1 receptor transfected in HEK293 cell... | 16263283 |
| Cannabinoid receptor 1 | Ki | = | 1.0 | nM | 9.0 | Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]... | 16263283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Cannabinoid receptor 1 | 2 |
| 16263283 | 10.1016/j.bmcl.2005.10.019 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine