Compound Detail
CHEMBL126869
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CCc1cc(C(C)(C)CCCCCCN=C=S)cc2c1[C@@H]1CC(CO)=CC[C@H]1C(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL126869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWSFJJNCYUPGKF-DNQXCXABSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.7
MW (Da)
7.16
ALogP
4
HBA
1
HBD
41.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor CHEMBL2111385 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor | IC50 | = | 1.6 | nM | 8.8 | Tested for affinity of compound against cannabinoid receptor in rat forebrain me... | 7966145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966145 | 10.1021/jm00049a002 | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine