Compound Detail
CHEMBL4213400
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Basic Information
| ChEMBL ID | CHEMBL4213400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCKCQHTXFTYJSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
2.99
ALogP
9
HBA
4
HBD
103.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 78.0 | nM | 7.11 | Inhibition of EGFR T790M/L858R double mutant phosphorylation in human H1975 cell... | 28287730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28287730 | 10.1021/acs.jmedchem.6b01894 | Epidermal growth factor receptor | 2 |
| 28287730 | 10.1021/acs.jmedchem.6b01894 | Unchecked | 1 |
| 28287730 | 10.1021/acs.jmedchem.6b01894 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine