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Compound Detail

CHEMBL159877

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O=C(O)CN1CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159877
Phase Preclinical
Structure Type MOL
InChI Key FRDRIOWPZUFOTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.2
MW (Da)
0.44
ALogP
5
HBA
1
HBD
121.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O6
MW 293.24
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
9057855 10.1021/jm960594+ Aldo-keto reductase family 1 member A1 2
9057855 10.1021/jm960594+ Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine