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Compound Detail

CHEMBL383671

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COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

Basic Information

ChEMBL ID CHEMBL383671
Phase Preclinical
Structure Type MOL
InChI Key AFKKJZFFHJDMMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.3
MW (Da)
3.55
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15FN4O3
MW 354.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 17.0 nM 7.77 Inhibitory activity against VEGFR2 16570908

Literature References

PubMed DOI Target Context # Activities
16570908 10.1021/jm051106d Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine