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Compound Detail

CHEMBL3972979

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CNC(=O)Cn1cc(-c2cnc3ccc(N(CCCN4CCCC4)c4cc(OC)cc(OC)c4)cc3n2)cn1

Basic Information

ChEMBL ID CHEMBL3972979
Phase Preclinical
Structure Type MOL
InChI Key VZUAVFLTRIZLOD-UHFFFAOYSA-N
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

529.6
MW (Da)
3.88
ALogP
9
HBA
1
HBD
97.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35N7O3
MW 529.65
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.54

Activity Summary

IC50 8 meas. best 8.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.98 8.24 1.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.64 8.265 2.3 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.54 8.54 2.9 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.29 8.29 5.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.37 6.63 42.7 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine