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Compound Detail

CHEMBL133123

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O=C(O)CC1C(=O)NC(=O)c2cccn21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133123
Phase Preclinical
Structure Type MOL
InChI Key LSKIBELYWJHTRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

208.2
MW (Da)
-0.23
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.66
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 C9H8N2O4
MW 208.17
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.14

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