Compound Detail
CHEMBL2018776
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2018776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FARPVPMCEBTTDI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
516.0
MW (Da)
6.10
ALogP
8
HBA
2
HBD
97.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 5.13 | 5.13 | 7400.0 | 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 | = | 7400.0 | nM | 5.13 | 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 | HT-29 | 1 |
| 22229669 | 10.1021/jm2013453 | PC-3 | 1 |
| 22229669 | 10.1021/jm2013453 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine