Compound Detail
CHEMBL1760377
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CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccc(OC)cc5c4[C@H]4O[C@@H]2N([C@@H]4O)[C@@H]13
Basic Information
| ChEMBL ID | CHEMBL1760377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQGAYUYOVHVHFB-BCLNENTPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.44
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.85 | 6.85 | 141.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 141.0 | nM | 6.85 | Antagonist activity at CB1 receptor transfected in CHO cells expressing apoaequo... | 21376588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376588 | 10.1016/j.bmcl.2011.02.036 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine