Compound Detail
CHEMBL4793443
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Basic Information
| ChEMBL ID | CHEMBL4793443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJHBBUOCKSUYLO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
4.27
ALogP
8
HBA
3
HBD
114.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 4.05 | 4.05 | 88600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 88600.0 | nM | 4.05 | Antiproliferative activity against human A-431 cells harboring wild type EGFR as... | 31869655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31869655 | 10.1016/j.ejmech.2019.111966 | Epidermal growth factor receptor | 2 |
| 31869655 | 10.1016/j.ejmech.2019.111966 | A-431 | 1 |
| 31869655 | 10.1016/j.ejmech.2019.111966 | NCI-H1975 | 1 |
| 31869655 | 10.1016/j.ejmech.2019.111966 | U-87 MG | 1 |
| 31869655 | 10.1016/j.ejmech.2019.111966 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine