Compound Detail
CHEMBL1729479
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Basic Information
| ChEMBL ID | CHEMBL1729479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OACFYNAMKUYTKD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.41
ALogP
6
HBA
0
HBD
77.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.15 | 5.15 | 7110.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.02 | 5.02 | 9550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 7110.0 | nM | 5.15 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 9550.0 | nM | 5.02 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26916440 | 10.1016/j.bmcl.2016.02.030 | G-protein coupled receptor 55 | 1 |
Data from ChEMBL 36 via Core Engine