Compound Detail
CHEMBL521513
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Cc1c(-c2nnc(C(C)(C)c3ccc(Cl)cc3)o2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL521513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMGGYAHVYBBCQL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.3
MW (Da)
8.84
ALogP
5
HBA
0
HBD
56.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 4.78 | nM | 8.32 | Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat cerebellum ... | 18954042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18954042 | 10.1021/jm800843r | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine