Compound Detail
CHEMBL1704084
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Basic Information
| ChEMBL ID | CHEMBL1704084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTBYKHKWIFIFAK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.18
ALogP
5
HBA
0
HBD
68.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.7 | 5.7 | 1980.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 1980.0 | nM | 5.7 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 2700.0 | nM | 5.57 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Cannabinoid receptor 2 | IC50 | = | 14000.0 | nM | 4.85 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 usin... | - |
Data from ChEMBL 36 via Core Engine