Compound Detail
CHEMBL1914911
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Basic Information
| ChEMBL ID | CHEMBL1914911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEXSZNMNYYRMHU-PXNMLYILSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
4.36
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.18 | 5.18 | 6580.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.07 | 5.07 | 8600.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.58 | 4.58 | 26400.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.57 | 4.57 | 26700.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.55 | 4.55 | 28100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6580.0 | nM | 5.18 | Inhibition of human VEGFR2 preincubated for 10 mins before ATP addition measured... | 22019188 |
| HCT-116 | IC50 | = | 8600.0 | nM | 5.07 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 22019188 |
| A549 | IC50 | = | 11000.0 | nM | 4.96 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 22019188 |
| K562 | IC50 | = | 15800.0 | nM | 4.8 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 22019188 |
| PC-3 | IC50 | = | 26400.0 | nM | 4.58 | Cytotoxicity against human PC3 cells after 48 hrs by MTT assay | 22019188 |
| HL-60 | IC50 | = | 26700.0 | nM | 4.57 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 22019188 |
| HepG2 | IC50 | = | 28100.0 | nM | 4.55 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 22019188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22019188 | 10.1016/j.ejmech.2011.10.009 | Vascular endothelial growth factor receptor 2 | 2 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | HepG2 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | ADMET | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | PC-3 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | K562 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | HL-60 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | HCT-116 | 1 |
| 22019188 | 10.1016/j.ejmech.2011.10.009 | A549 | 1 |
Data from ChEMBL 36 via Core Engine