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Compound Detail

CHEMBL1688249

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c1cnc(NCc2ccncc2)c(-c2nnc(-c3ccc4c(c3)OCO4)[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688249
Phase Preclinical
Structure Type MOL
InChI Key ABGLJSGHTCBIRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.27
ALogP
7
HBA
2
HBD
97.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N6O2
MW 372.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 2300.0 nM 5.64 Inhibition of VEGFR-2 kinase assessed as phosphorylated level of pGAT-biotin pep... 24900236

Literature References

PubMed DOI Target Context # Activities
24900236 10.1021/ml1001568 Vascular endothelial growth factor receptor 2 2
24900236 10.1021/ml1001568 Unchecked 1
24900236 10.1021/ml1001568 A-431 1

Data from ChEMBL 36 via Core Engine