Compound Detail
CHEMBL4102831
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Basic Information
| ChEMBL ID | CHEMBL4102831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNAYWTJVYWUEIH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.64
ALogP
4
HBA
3
HBD
85.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 5.34 | 5.34 | 4608.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.8 | 4.8 | 15935.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 4.66 | 4.66 | 22056.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | IC50 | = | 4608.0 | nM | 5.34 | Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate... | 28541695 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 15935.0 | nM | 4.8 | Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate pre... | 28541695 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 22056.0 | nM | 4.66 | Inhibition of cKIT (unknown origin) using FAM-labeled peptide as substrate prein... | 28541695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28541695 | 10.1021/acs.jmedchem.7b00468 | Vascular endothelial growth factor receptor 2 | 1 |
| 28541695 | 10.1021/acs.jmedchem.7b00468 | Mast/stem cell growth factor receptor Kit | 1 |
| 28541695 | 10.1021/acs.jmedchem.7b00468 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine