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Compound Detail

CHEMBL371373

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CCc1nnc(-c2cn3ncnc(Nc4cc(C(=O)NOC)c(F)cc4F)c3c2C(C)C)o1

Basic Information

ChEMBL ID CHEMBL371373
Phase Preclinical
Structure Type MOL
InChI Key WJZSUSVUKVZGLF-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

457.4
MW (Da)
3.78
ALogP
9
HBA
2
HBD
119.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F2N7O3
MW 457.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.70

Activity Summary

IC50 4 meas. best 8.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 8.74 8.74 1.8 1
Fibroblast growth factor receptor
CHEMBL2095217
IC50 8.33 8.33 4.7 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.77 7.77 17.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine