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Compound Detail

CHEMBL194929

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CONC(=O)c1cc(Nc2ncnn3cc(-c4noc(C)n4)c(C(C)C)c23)c(F)cc1F

Basic Information

ChEMBL ID CHEMBL194929
Phase Preclinical
Structure Type MOL
InChI Key QJEWQEBJOYXWAW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
3.52
ALogP
9
HBA
2
HBD
119.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F2N7O3
MW 443.41
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.72

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.96 6.96 110.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15943473 10.1021/jm0501275 HUVEC 2
15943473 10.1021/jm0501275 Vascular endothelial growth factor receptor 2 1
15943473 10.1021/jm0501275 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine