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Compound Detail

CHEMBL159475

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O=C(O)CN1C(=O)CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL159475
Phase Preclinical
Structure Type MOL
InChI Key FJBMJIQITUSUCJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
0.36
ALogP
6
HBA
1
HBD
138.1
PSA (Ų)
0.47
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 C13H11N3O7
MW 321.25
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.44

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