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Compound Detail

CHEMBL3942328

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CNC(=O)Cn1cc(-c2cnc3ccc(N(CCCN)c4cc(OC)cc(OC)c4)cc3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3942328
Phase Preclinical
Structure Type MOL
InChI Key NHSCTFBEZPHZRZ-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.6
MW (Da)
2.74
ALogP
9
HBA
2
HBD
120.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N7O3
MW 475.55
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.31

Activity Summary

IC50 8 meas. best 8.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.99 7.97 1.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 8.83 7.725 1.5 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.82 8.82 1.5 1
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.1 8.1 7.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.39 6.27 40.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 1.023 nM 8.99 Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 3 IC50 = 1.479 nM 8.83 Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 2 IC50 = 1.514 nM 8.82 Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 4 IC50 = 7.943 nM 8.1 Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Vascular endothelial growth factor receptor 2 IC50 = 40.74 nM 7.39 Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET... -
Fibroblast growth factor receptor 1 IC50 = 112.2 nM 6.95 Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... -
Fibroblast growth factor receptor 3 IC50 = 239.88 nM 6.62 Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... -
Vascular endothelial growth factor receptor 2 IC50 = 7079.46 nM 5.15 Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... -

Data from ChEMBL 36 via Core Engine