Compound Detail
CHEMBL3758782
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Basic Information
| ChEMBL ID | CHEMBL3758782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCEQRQFUJFEIJQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.0
MW (Da)
5.43
ALogP
4
HBA
2
HBD
60.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.68 | 6.68 | 209.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 209.0 | nM | 6.68 | Negative allosteric modulator activity at human CB1R expressed in CHO-K1 cells a... | 26529344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26529344 | 10.1021/acs.jmedchem.5b01303 | Cannabinoid receptor 1 | 5 |
Data from ChEMBL 36 via Core Engine