Compound Detail
CHEMBL4063301
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 | CHEMBL4063301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLEPYGXNYYOTII-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
380.9
MW (Da)
5.55
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.21 | 8.185 | 6.1 | 2 |
| HCC827 CHEMBL4296422 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.2 | 5.2 | 6360.0 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 4.38 | 4.38 | 41810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 6.13 | nM | 8.21 | Inhibition of recombinant human GST-tagged EGFR cytoplasmic domain (668 to 1210 ... | 28236592 |
| Epidermal growth factor receptor | IC50 | = | 6.963 | nM | 8.16 | Inhibition of recombinant human GST-tagged EGFR L858R mutant cytoplasmic domain ... | 28236592 |
| HCC827 | IC50 | = | 2550.0 | nM | 5.59 | Antiproliferative activity against human HCC827 cells harboring EGFR E746_A750 d... | 28236592 |
| A549 | IC50 | = | 6360.0 | nM | 5.2 | Antiproliferative activity against human A549 cells harboring wild type EGFR aft... | 28236592 |
| NCI-H1975 | IC50 | = | 41810.0 | nM | 4.38 | Antiproliferative activity against human NCI-H1975 cells harboring EGFR L858R/T7... | 28236592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28236592 | 10.1016/j.bmcl.2017.02.023 | Epidermal growth factor receptor | 3 |
| 28236592 | 10.1016/j.bmcl.2017.02.023 | A549 | 1 |
| 28236592 | 10.1016/j.bmcl.2017.02.023 | A-431 | 1 |
| 28236592 | 10.1016/j.bmcl.2017.02.023 | NCI-H1975 | 1 |
| 28236592 | 10.1016/j.bmcl.2017.02.023 | HCC827 | 1 |
| 28236592 | 10.1016/j.bmcl.2017.02.023 | L02 | 1 |
Data from ChEMBL 36 via Core Engine