Compound Detail
CHEMBL1452959
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Basic Information
| ChEMBL ID | CHEMBL1452959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZPXYCYKOYZUNZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
3.80
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.3 | 6.03 | 506.0 | 2 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 506.0 | nM | 6.3 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 55 | IC50 | = | 1737.76 | nM | 5.76 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Cannabinoid receptor 1 | IC50 | = | 22000.0 | nM | 4.66 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
Data from ChEMBL 36 via Core Engine