Compound Detail
CHEMBL1358485
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Basic Information
| ChEMBL ID | CHEMBL1358485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUGSLZCFNSTKBN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
444.0
MW (Da)
4.51
ALogP
7
HBA
1
HBD
70.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Dengue virus CHEMBL613757 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 3.0 | nM | 8.52 | Inhibition of EGFR (unknown origin) | 33539089 |
| Receptor tyrosine-protein kinase erbB-2 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of ERbB2 (unknown origin) | 33539089 |
| Dengue virus | IC50 | = | 900.0 | nM | 6.05 | Antiviral activity against DENV | 33539089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Epidermal growth factor receptor | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Dengue virus | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Huh7.5.1 | 1 |
Data from ChEMBL 36 via Core Engine