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Compound Detail

CHEMBL3891892

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

Basic Information

ChEMBL ID CHEMBL3891892
Phase Preclinical
Structure Type MOL
InChI Key FFFJXBUHHHYLPP-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

514.5
MW (Da)
4.25
ALogP
8
HBA
1
HBD
94.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25F3N6O3
MW 514.51
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.42

Activity Summary

IC50 8 meas. best 8.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.97 8.26 1.1 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.96 7.805 1.1 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.58 8.58 2.6 1
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.45 8.45 3.5 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.64 6.715 22.9 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine