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Compound Detail

CHEMBL351564

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

Basic Information

ChEMBL ID CHEMBL351564
Phase Preclinical
Structure Type MOL
InChI Key BTQCGWIDTQPKOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.2
MW (Da)
-0.24
ALogP
6
HBA
2
HBD
141.3
PSA (Ų)
0.43
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 C12H11N3O7
MW 309.23
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.25

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