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Compound Detail

CHEMBL3933707

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COc1cc(OC)cc(N(CCCN2CCC(S(C)(=O)=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3933707
Phase Preclinical
Structure Type MOL
InChI Key IHIQKRYMXUFAGS-UHFFFAOYSA-N
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
3.69
ALogP
10
HBA
0
HBD
102.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N6O4S
MW 550.69
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.37

Activity Summary

IC50 9 meas. best 8.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.9 8.16 1.3 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.79 8.345 1.6 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.55 8.55 2.8 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.11 8.11 7.8 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.54 6.94 28.8 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