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Compound Detail

CHEMBL3892529

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COc1cc(OC)c(F)c(N(CCCNCC(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1F

Basic Information

ChEMBL ID CHEMBL3892529
Phase Preclinical
Structure Type MOL
InChI Key GLLVJFAKHOOPKT-UHFFFAOYSA-N
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

536.5
MW (Da)
5.01
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25F5N6O2
MW 536.51
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.42

Activity Summary

IC50 7 meas. best 8.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.86 8.86 1.4 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.68 8.68 2.1 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.56 8.56 2.8 1
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.53 8.53 3.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.85 7.23 14.1 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 4.99 4.99 10232.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine