Compound Detail
CHEMBL2018749
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Basic Information
| ChEMBL ID | CHEMBL2018749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRDXVFUDWHNKCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.74
ALogP
7
HBA
2
HBD
94.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 800.0 | nM | 6.1 | Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and ... | 22229669 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP a... | 22229669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22229669 | 10.1021/jm2013453 | Epidermal growth factor receptor | 1 |
| 22229669 | 10.1021/jm2013453 | Vascular endothelial growth factor receptor 2 | 1 |
| 22229669 | 10.1021/jm2013453 | PC-3 | 1 |
| 22229669 | 10.1021/jm2013453 | HT-29 | 1 |
| 22229669 | 10.1021/jm2013453 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine