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Compound Detail

CHEMBL3633693

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CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633693
Phase Preclinical
Structure Type MOL
InChI Key NRRQBNPKMOFBDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

512.6
MW (Da)
4.94
ALogP
9
HBA
1
HBD
111.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24N6O3S
MW 512.60
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
26344911 10.1016/j.ejmech.2015.08.012 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine