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Compound Detail

CHEMBL3925081

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[2H]C([2H])([2H])Oc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3925081
Phase Preclinical
Structure Type MOL
InChI Key OOWSKBMTGLHFAR-BMSJAHLVSA-N
Parent Compound CHEMBL3958153
Active Moiety CHEMBL3958153
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
3.18
ALogP
8
HBA
1
HBD
85.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N5O3
MW 408.48
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.30

Activity Summary

IC50 9 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.05 7.96 0.9 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.58 7.585 2.6 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.37 8.37 4.3 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.24 8.24 5.8 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.08 6.365 83.2 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine