Compound Detail
CHEMBL1420151
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Basic Information
| ChEMBL ID | CHEMBL1420151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCFRRERPZXNRCF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
2.35
ALogP
7
HBA
1
HBD
89.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
EC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 6.06 | 6.06 | 878.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 15.0 | nM | 7.82 | Antiviral activity against HCV infected in human HuH7 HCV subgenomic replicon ce... | 28923387 |
| Cannabinoid receptor 1 | IC50 | = | 69.0 | nM | 7.16 | PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 1 usin... | - |
| G-protein coupled receptor 55 | IC50 | = | 878.0 | nM | 6.06 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28923387 | 10.1016/j.ejmech.2017.09.010 | Hepatitis C virus | 1 |
| 28923387 | 10.1016/j.ejmech.2017.09.010 | Huh-7 | 1 |
| 28923387 | 10.1016/j.ejmech.2017.09.010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine