Compound Detail
CHEMBL144770
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
N#C/C(=C\c1cc(O)c(O)c(Br)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1cc(O)c(O)c(Br)c1
Basic Information
| ChEMBL ID | CHEMBL144770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYZWEMNNBFBAKA-VHUAAIQRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.2
MW (Da)
3.17
ALogP
8
HBA
6
HBD
186.7
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.47 | 5.6733 | 340.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 340.0 | nM | 6.47 | Inhibition of epidermal growth factor receptor (EGFR) phosphorylation of the exo... | 8960549 |
| Epidermal growth factor receptor | IC50 | = | 3900.0 | nM | 5.41 | Inhibitory activity of compound against Epidermal growth factor receptor autopho... | 8960549 |
| Epidermal growth factor receptor | IC50 | = | 7300.0 | nM | 5.14 | Antiproliferative activity determined by measuring the ability to block [3H]- th... | 8960549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960549 | 10.1021/jm960225d | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine