Compound Detail
CHEMBL1484306
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Basic Information
| ChEMBL ID | CHEMBL1484306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXELDYRZCKHWSK-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
3.68
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.47
EC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.47 | 6.325 | 342.0 | 4 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.5 | 5.5 | 3170.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 4.55 | 4.55 | 28200.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.23 | 4.23 | 58700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 342.0 | nM | 6.47 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 430.0 | nM | 6.37 | Antagonist activity at human GPR55 expressed in human U2OS cells assessed as inh... | 36655130 |
| G-protein coupled receptor 55 | IC50 | = | 527.0 | nM | 6.28 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 653.47 | nM | 6.18 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Cannabinoid receptor 1 | IC50 | = | 3170.0 | nM | 5.5 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| Cannabinoid receptor 2 | EC50 | = | 28200.0 | nM | 4.55 | PUBCHEM_BIOASSAY: SAR analysis of agonists of the Cannabinoid Receptor 2 using a... | - |
| NON-PROTEIN TARGET | EC50 | = | 58700.0 | nM | 4.23 | PUBCHEM_BIOASSAY: High Throughput Screen for Inhibitors of ER Stress-induced Cel... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36655130 | 10.1021/acsmedchemlett.2c00325 | G-protein coupled receptor 55 | 1 |
Data from ChEMBL 36 via Core Engine