Compound Detail
CHEMBL3914378
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Basic Information
| ChEMBL ID | CHEMBL3914378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVWCAAQIEDOOLZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.6
MW (Da)
3.05
ALogP
8
HBA
2
HBD
97.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.35
EC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha CHEMBL2007 | EC50 | 6.37 | 6.37 | 428.8 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.35 | 6.35 | 450.0 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | EC50 | 5.92 | 5.92 | 1198.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 4.81 | 4.805 | 15500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor alpha | EC50 | = | 428.75 | nM | 6.37 | Inhibition of PDGFRA (unknown origin) autophosphorylation using [gamma32P]ATP me... | - |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 450.0 | nM | 6.35 | Inhibition of c-kit gain of function mutant in human GIST882 cells after 96 hrs ... | - |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 450.0 | nM | 6.35 | Inhibition of c-kit gain of function mutant in human GIST882 cells measured afte... | - |
| Mast/stem cell growth factor receptor Kit | EC50 | = | 1198.0 | nM | 5.92 | Inhibition of c-kit (unknown origin) autophosphorylation using [gamma32P]ATP mea... | - |
| Platelet-derived growth factor receptor alpha | IC50 | = | 15500.0 | nM | 4.81 | Inhibition of PDGFRA in human MIAPaCa2 cells measured after 4 days by sulforhoda... | - |
| Platelet-derived growth factor receptor alpha | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of PDGFRA in human PANC1 cells measured after 4 days by sulforhodamin... | - |
Data from ChEMBL 36 via Core Engine