Compound Detail
CHEMBL4544453
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Basic Information
| ChEMBL ID | CHEMBL4544453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRMRPWLAKLYLHU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.3
MW (Da)
6.37
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.4 | 6.83 | 40.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 40.0 | nM | 7.4 | Allosteric modulator activity at human CB1 receptor expressed in CHO-RD-HGA16 ce... | 31596583 |
| Cannabinoid receptor 1 | IC50 | = | 553.0 | nM | 6.26 | Allosteric modulator activity at human CB1 receptor expressed in HEK293 cell mem... | 31596583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31596583 | 10.1021/acs.jmedchem.9b01161 | Cannabinoid receptor 1 | 6 |
| 31596583 | 10.1021/acs.jmedchem.9b01161 | Cannabinoid receptor 2 | 3 |
Data from ChEMBL 36 via Core Engine