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Compound Detail

CHEMBL92279

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c1cc(-c2cnc3c(-c4ccncc4)cnn3c2)ccn1

Basic Information

ChEMBL ID CHEMBL92279
Phase Preclinical
Structure Type MOL
InChI Key ZLISHOMLHVNDJG-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
2.85
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N5
MW 273.30
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -1.29

Activity Summary

IC50 5 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.65 6.65 224.0 3
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 6.21 6.21 622.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27894044 10.1016/j.ejmech.2016.11.019 Unchecked 4
12217372 10.1016/s0960-894x(02)00525-5 Vascular endothelial growth factor receptor 2 1
12217372 10.1016/s0960-894x(02)00525-5 VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) 1
12217372 10.1016/s0960-894x(02)00525-5 Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) 1
12217372 10.1016/s0960-894x(02)00525-5 Vascular endothelial growth factor receptor 2 and 3 (KDR and Flt-4) 1
12217372 10.1016/s0960-894x(02)00525-5 VEGF-receptor 2 and Fibroblast growth factor receptor 1 1
12217372 10.1016/s0960-894x(02)00525-5 VEGF-receptor 2 and tyrosine-protein kinase SRC 1
12217372 10.1016/s0960-894x(02)00525-5 Vascular endothelial growth factor receptor 1
12217372 10.1016/s0960-894x(02)00525-5 No relevant target 1
12443771 10.1016/s0960-894x(02)00827-2 Vascular endothelial growth factor receptor 2 1
12443771 10.1016/s0960-894x(02)00827-2 Vascular endothelial growth factor receptor 1
12443771 10.1016/s0960-894x(02)00827-2 No relevant target 1
27894044 10.1016/j.ejmech.2016.11.019 Vascular endothelial growth factor receptor 2 1
27894044 10.1016/j.ejmech.2016.11.019 VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) 1

Data from ChEMBL 36 via Core Engine