Compound Detail
CHEMBL2018756
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Basic Information
| ChEMBL ID | CHEMBL2018756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEKKQKSAUFTIBW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
4.27
ALogP
7
HBA
2
HBD
94.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.3 | 6.245 | 500.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.05 | 6.05 | 900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human recombinant VEGFR-2 after 1 hr using [gamma-32P]ATP | 26526740 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 650.0 | nM | 6.19 | Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP a... | 22229669 |
| Epidermal growth factor receptor | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and ... | 22229669 |
| Epidermal growth factor receptor | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human EGFR after 1 hr using [gamma-32P]ATP | 26526740 |
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 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Epidermal growth factor receptor | 1 |
| 26526740 | 10.1016/j.bmc.2015.10.035 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine