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Compound Detail

CHEMBL3911635

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COc1cc(OC)cc(N(CC(O)C(F)(F)F)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3911635
Phase Preclinical
Structure Type MOL
InChI Key JXGGHGLZZYBWNG-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
5.15
ALogP
8
HBA
1
HBD
85.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F3N5O3
MW 501.51
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.07

Activity Summary

IC50 8 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.0 8.175 1.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.56 7.775 2.8 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.55 8.55 2.8 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.49 8.49 3.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.87 6.18 134.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine