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Compound Detail

CHEMBL3944438

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CNC(=O)c1cc(F)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3944438
Phase Preclinical
Structure Type MOL
InChI Key CAMOGMXHVRSGKE-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
2.66
ALogP
7
HBA
2
HBD
96.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN6O2
MW 420.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.86

Activity Summary

IC50 8 meas. best 8.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.71 7.885 1.9 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 8.58 7.91 2.6 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.15 8.15 7.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.66 6.975 21.9 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.36 7.36 43.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 1.95 nM 8.71 Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 3 IC50 = 2.63 nM 8.58 Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 2 IC50 = 7.079 nM 8.15 Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Vascular endothelial growth factor receptor 2 IC50 = 21.88 nM 7.66 Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET... -
Fibroblast growth factor receptor 4 IC50 = 43.65 nM 7.36 Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 3 IC50 = 57.54 nM 7.24 Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... -
Fibroblast growth factor receptor 1 IC50 = 87.1 nM 7.06 Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... -
Vascular endothelial growth factor receptor 2 IC50 = 512.86 nM 6.29 Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... -

Data from ChEMBL 36 via Core Engine