Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4863224

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
COc1cc(OC)c(F)c(N2Cc3cnc4[nH]ccc4c3N(C)C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4863224
Phase Preclinical
Structure Type MOL
InChI Key UQZPQFKVJWOQTM-UHFFFAOYSA-N
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
70.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4O3
MW 356.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.51

Activity Summary

IC50 7 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.96 8.96 1.1 1
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 8.85 8.85 1.4 1
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.85 8.85 1.4 1
Unchecked
CHEMBL612545
 IC50 8.33 7.75 4.7 2
NCI-H1581
CHEMBL1075516
 IC50 8.26 8.26 5.5 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.04 7.04 92.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 1.1 nM 8.96 Inhibition of human FGFR1 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... 34269576
Fibroblast growth factor receptor 2 IC50 = 1.4 nM 8.85 Inhibition of human FGFR2 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... 34269576
Fibroblast growth factor receptor 3 IC50 = 1.4 nM 8.85 Inhibition of human FGFR3 using biotinylated-EQEDEPEGDYFEWLE peptide as substrat... 34269576
Unchecked IC50 = 4.7 nM 8.33 Antiproliferative activity against human B49 assessed as inhibition of cell prol... 34269576
NCI-H1581 IC50 = 5.5 nM 8.26 Antiproliferative activity against human NCI-H1581 cells assessed as inhibition ... 34269576
Unchecked IC50 = 67.0 nM 7.17 Inhibition of phosphorylated FGFR2alpha in human KATO III stomach cancer cell li... 34269576
Vascular endothelial growth factor receptor 2 IC50 = 92.0 nM 7.04 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

Data from ChEMBL 36 via Core Engine