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Compound Detail

CHEMBL335079

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CN1C(=O)c2cccn2C(CC(=O)O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335079
Phase Preclinical
Structure Type MOL
InChI Key HMYCWKYXWDFWQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
0.12
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2O4
MW 222.20
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
9767647 10.1021/jm9802968 Aldo-keto reductase family 1 member B1 1
9767647 10.1021/jm9802968 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine