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Compound Detail

CHEMBL224690

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CN(C)c1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224690
Phase Preclinical
Structure Type MOL
InChI Key WUXTYVHXWDGPIQ-LFYBBSHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

285.8
MW (Da)
4.30
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClNO
MW 285.77
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
17007965 10.1016/j.ejmech.2006.08.012 Candida albicans 3
18584918 10.1016/j.ejmech.2008.05.010 Staphylococcus aureus 2
18584918 10.1016/j.ejmech.2008.05.010 Escherichia coli 1
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine