Compound Detail
CHEMBL1703772
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Basic Information
| ChEMBL ID | CHEMBL1703772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAGHLZPRCQGGKY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.40
ALogP
5
HBA
0
HBD
68.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.06 | 5.06 | 8640.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 4.92 | 4.84 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 8640.0 | nM | 5.06 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 12000.0 | nM | 4.92 | Antagonist activity at beta-galactosidase fragment-fused GRP55 (unknown origin) ... | 26916440 |
| G-protein coupled receptor 55 | IC50 | = | 17400.0 | nM | 4.76 | 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