Compound Detail
CHEMBL339416
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 | CHEMBL339416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMCVYFXROBUBLX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
3.68
ALogP
7
HBA
2
HBD
95.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.13 | 9.13 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.74 | nM | 9.13 | Inhibition of phosphorylation of polyglutamic acid/tyrosine random copolymer by ... | 9397172 |
| Epidermal growth factor receptor | IC50 | = | 0.7413 | nM | 9.13 | Inhibition of human recombinant EGFR | 19170633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9397172 | 10.1021/jm970366v | Epidermal growth factor receptor | 2 |
| 19170633 | 10.1021/jm800829v | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine