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Compound Detail

CHEMBL273177

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CN1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL273177
Phase Preclinical
Structure Type MOL
InChI Key VLSZBBLFPBINKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
0.83
ALogP
4
HBA
1
HBD
77.9
PSA (Ų)
0.60
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 C13H12N2O4
MW 260.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
18343108 10.1016/j.bmcl.2008.02.066 Unchecked 1
18343108 10.1016/j.bmcl.2008.02.066 Methionine aminopeptidase 1 1
24361188 10.1016/j.bmc.2013.12.010 Nakaseomyces glabratus 1
24361188 10.1016/j.bmc.2013.12.010 Candida albicans 1

Data from ChEMBL 36 via Core Engine