Compound Detail
CHEMBL4077228
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
CCC(=O)Nc1cccc(-c2c[nH]c3nccc(-c4[nH]c(CCCO)nc4-c4ccc(F)cc4)c23)c1
Basic Information
| ChEMBL ID | CHEMBL4077228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABEGTFCLSXRJQE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
5.70
ALogP
4
HBA
4
HBD
106.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.55 | 5.9833 | 279.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 279.0 | nM | 6.55 | Inhibition of recombinant human GST-tagged EGFR L858R mutant cytoplasmic domain ... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 673.0 | nM | 6.17 | Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytopl... | 28482151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine