Compound Detail
CHEMBL4856613
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Basic Information
| ChEMBL ID | CHEMBL4856613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIHZJQZSPAIYMX-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
3.16
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 CHEMBL4142 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
| NCI-H1581 CHEMBL1075516 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.34 | 6.34 | 452.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 2 | IC50 | = | 4.4 | nM | 8.36 | Inhibition of human FGFR2 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... | 34269576 |
| Fibroblast growth factor receptor 3 | IC50 | = | 5.7 | nM | 8.24 | Inhibition of human FGFR3 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... | 34269576 |
| Fibroblast growth factor receptor 1 | IC50 | = | 7.5 | nM | 8.12 | Inhibition of human FGFR1 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... | 34269576 |
| NCI-H1581 | IC50 | = | 40.0 | nM | 7.4 | Antiproliferative activity against human NCI-H1581 cells assessed as inhibition ... | 34269576 |
| Unchecked | IC50 | = | 42.0 | nM | 7.38 | Antiproliferative activity against human B49 assessed as inhibition of cell prol... | 34269576 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 452.0 | nM | 6.34 | Inhibition of human recombinant N-terminal His6-tagged VEGFR2 expressed in bacul... | 34269576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Unchecked | 2 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Fibroblast growth factor receptor 1 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Fibroblast growth factor receptor 2 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Fibroblast growth factor receptor 3 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Vascular endothelial growth factor receptor 2 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | NCI-H1581 | 1 |
| 34269576 | 10.1021/acs.jmedchem.1c00713 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine