Compound Detail
CHEMBL1718220
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Basic Information
| ChEMBL ID | CHEMBL1718220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPQAMKRDGHYJDR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
415.3
MW (Da)
5.71
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.18 | 6.18 | 661.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.41 | 5.41 | 3870.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.28 | 5.28 | 5270.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 4.55 | 4.55 | 28200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 661.0 | nM | 6.18 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Cannabinoid receptor 2 | IC50 | = | 3870.0 | nM | 5.41 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 5270.0 | nM | 5.28 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 35 | IC50 | = | 28200.0 | nM | 4.55 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the GPR35 Receptor using an Ima... | - |
Data from ChEMBL 36 via Core Engine