Compound Detail
CHEMBL4063701
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4063701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGSCINMIORUDKX-CQSZACIVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.23
EC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.23 | 5.21 | 5900.0 | 2 |
| HCC827 CHEMBL4296422 | EC50 | 4.63 | 4.63 | 23600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of human recombinant GST-tagged EGFR L858R mutant expressed in baculo... | 28853575 |
| Epidermal growth factor receptor | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of wild type N-terminal GST-fused human EGFR cytoplasmic domain expre... | 28853575 |
| HCC827 | EC50 | = | 23600.0 | nM | 4.63 | Antiproliferative activity against human HCC827 cells harboring EGFR-delE746_A75... | 28853575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28853575 | 10.1021/acs.jmedchem.7b00515 | Epidermal growth factor receptor | 3 |
| 28853575 | 10.1021/acs.jmedchem.7b00515 | HCC827 | 1 |
| 28853575 | 10.1021/acs.jmedchem.7b00515 | A-431 | 1 |
| 28853575 | 10.1021/acs.jmedchem.7b00515 | NCI-H1975 | 1 |
| 28853575 | 10.1021/acs.jmedchem.7b00515 | A549 | 1 |
Data from ChEMBL 36 via Core Engine