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Compound Detail

CHEMBL3934260

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COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3934260
Phase Preclinical
Structure Type MOL
InChI Key NWRFMCQOAWFURR-UHFFFAOYSA-N
Parent Compound CHEMBL3909529
Active Moiety CHEMBL3909529
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
4.57
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.35
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 C26H33ClN6O2
MW 497.04
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.30

Activity Summary

IC50 10 meas. best 8.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.95 8.95 1.1 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.88 8.17 1.3 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 8.71 7.1833 1.9 3
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.26 8.26 5.5 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.47 6.68 33.9 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 5.18 5.18 6606.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 2 IC50 = 1.122 nM 8.95 Inhibition of human FGFR2 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 1 IC50 = 1.318 nM 8.88 Inhibition of human FGFR1 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 3 IC50 = 1.95 nM 8.71 Inhibition of human FGFR3 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 4 IC50 = 5.495 nM 8.26 Inhibition of human FGFR4 using Btn-Flt3 as substrate after 60 mins by TR-FRET a... -
Fibroblast growth factor receptor 3 IC50 = 15.49 nM 7.81 Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... -
Vascular endothelial growth factor receptor 2 IC50 = 33.88 nM 7.47 Inhibition of human VEGFR2 using Btn-Flt3 as substrate after 120 mins by TR-FRET... -
Fibroblast growth factor receptor 1 IC50 = 34.67 nM 7.46 Inhibition of FGFR1 (unknown origin) transfected in mouse BA/F3 cells assessed a... -
Vascular endothelial growth factor receptor 2 IC50 = 1288.25 nM 5.89 Inhibition of VEGFR2 (unknown origin) transfected in mouse BA/F3 cells assessed ... -
Receptor-type tyrosine-protein kinase FLT3 IC50 = 6606.93 nM 5.18 Inhibition of FLT3 (unknown origin) transfected in mouse BA/F3 cells assessed as... -
Fibroblast growth factor receptor 3 IC50 = 9332.54 nM 5.03 Inhibition of FGFR3 (unknown origin) transfected in mouse BA/F3 cells assessed a... -

Data from ChEMBL 36 via Core Engine