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Compound Detail

CHEMBL397719

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CC(=O)O/N=C1C(=C2\C(=O)Nc3c(Cl)cccc32)\Nc2ccccc2\1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL397719
Phase Preclinical
Structure Type MOL
InChI Key LBYSQHLOHIZNJL-MXMYYPTISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.8
MW (Da)
3.40
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12ClN3O3
MW 353.77
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
17665890 10.1021/jm070077z Aurora kinase A 1
17665890 10.1021/jm070077z Aurora kinase B 1
17665890 10.1021/jm070077z Aurora kinase C 1

Data from ChEMBL 36 via Core Engine