Compound Detail
CHEMBL512509
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CCOC(=O)/C(=C/C=C/c1ccccc1)C(=O)Oc1c(C2SCCS2)ccc2c1C=CC(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL512509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKHBYZIJGZFDIT-KJMLGPIDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
6.46
ALogP
7
HBA
0
HBD
61.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.86 | 5.86 | 1370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1370.0 | nM | 5.86 | Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical... | 19278853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19278853 | 10.1016/j.bmc.2009.02.027 | Cannabinoid receptor 2 | 2 |
| 19278853 | 10.1016/j.bmc.2009.02.027 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine