Compound Detail
CHEMBL1722450
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Basic Information
| ChEMBL ID | CHEMBL1722450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPFIHJGBLGVTNU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
4.75
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.21 | 5.21 | 6130.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.53 | 4.53 | 29800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 870.0 | nM | 6.06 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 6130.0 | nM | 5.21 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| Cannabinoid receptor 2 | IC50 | = | 29800.0 | nM | 4.53 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 usin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine