Compound Detail
CHEMBL1761942
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Basic Information
| ChEMBL ID | CHEMBL1761942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLMMENNFVTVIKM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
6.24
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 5.17 | 5.17 | 6800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation a... | 21353546 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP a... | 22229669 |
| MCF7 | IC50 | = | 6800.0 | nM | 5.17 | Antiproliferative activity against human MCF7 cells at 10 uM after 72 hrs by MTS... | 21353546 |
| MCF7 | IC50 | = | 6800.0 | nM | 5.17 | Antiproliferative activity against human MCF7 cells after 72 hrs by MTS assay | 22229669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353546 | 10.1016/j.bmcl.2011.01.137 | MCF7 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Epidermal growth factor receptor | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Vascular endothelial growth factor receptor 2 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | PC-3 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | HT-29 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | NON-PROTEIN TARGET | 1 |
| 22229669 | 10.1021/jm2013453 | Epidermal growth factor receptor | 1 |
| 22229669 | 10.1021/jm2013453 | Vascular endothelial growth factor receptor 2 | 1 |
| 22229669 | 10.1021/jm2013453 | MCF7 | 1 |
| 22229669 | 10.1021/jm2013453 | No relevant target | 1 |
| 22229669 | 10.1021/jm2013453 | PC-3 | 1 |
| 22229669 | 10.1021/jm2013453 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine