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Compound Detail

CHEMBL404393

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S=C(Nc1ccc(Cl)cc1)c1ccccc1OCc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL404393
Phase Preclinical
Structure Type MOL
InChI Key AWRPHLVGPBLITK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.9
MW (Da)
5.10
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN2OS
MW 354.86
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
18420406 10.1016/j.bmcl.2008.03.068 Vascular endothelial growth factor receptor 2 2
18420406 10.1016/j.bmcl.2008.03.068 HUVEC 1

Data from ChEMBL 36 via Core Engine