Compound Detail
CHEMBL2018767
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Basic Information
| ChEMBL ID | CHEMBL2018767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSNASZRQVNTUNU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
459.4
MW (Da)
5.17
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.59 | 5.59 | 2550.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.19 | 5.19 | 6450.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.03 | 5.03 | 9450.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 2550.0 | nM | 5.59 | Antiproliferative activity against human HT-29 cells after 72 hrs by MTS assay | 22229669 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6450.0 | nM | 5.19 | Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP a... | 22229669 |
| Epidermal growth factor receptor | IC50 | = | 9450.0 | nM | 5.03 | Inhibition of human EGFR expressed in human A431 cells using poly(Glu4/Tyr) and ... | 22229669 |
| MCF7 | IC50 | = | 9600.0 | nM | 5.02 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTS assay | 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 | HT-29 | 1 |
| 22229669 | 10.1021/jm2013453 | MCF7 | 1 |
| 22229669 | 10.1021/jm2013453 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine