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Compound Detail

CHEMBL373231

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CC(=O)Oc1ccccc1C(=O)OCO/N=[N+](\[O-])N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373231
Phase Preclinical
Structure Type MOL
InChI Key GQYASZUFOLJZBK-ICFOKQHNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
1.63
ALogP
7
HBA
0
HBD
103.5
PSA (Ų)
0.15
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O6
MW 323.31
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
15943479 10.1021/jm050211k Unchecked 3
15943479 10.1021/jm050211k Rattus norvegicus 2
15943479 10.1021/jm050211k Prostaglandin G/H synthase 1 1
15943479 10.1021/jm050211k Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine