Compound Detail
CHEMBL1539307
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Basic Information
| ChEMBL ID | CHEMBL1539307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOHBRAYMFNPTAQ-UHFFFAOYSA-N |
5
Targets
5
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
4.14
ALogP
6
HBA
0
HBD
61.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.95
IC50 1 meas. best 5.0
Kd 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.95 | 5.95 | 1130.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.92 | 5.92 | 1200.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.73 | 5.73 | 1843.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.34 | 5.34 | 4607.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 1130.0 | nM | 5.95 | Antiviral activity against HCV genotype 1b infected in human Huh7 cells assessed... | 26241789 |
| Unchecked | Kd | = | 1200.0 | nM | 5.92 | Binding affinity to HCV NS4B protease by fluorescence assay | 26241789 |
| Streptokinase A | EC50 | = | 1843.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 4607.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| X-box-binding protein 1 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26241789 | 10.1021/acs.jmedchem.5b00825 | Hepatitis C virus | 1 |
| 26241789 | 10.1021/acs.jmedchem.5b00825 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine