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Compound Detail

CHEMBL518577

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O=C(c1ccc([N+](=O)[O-])cc1)n1ccc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL518577
Phase Preclinical
Structure Type MOL
InChI Key DGDZMLHVARJZHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.24
ALogP
4
HBA
0
HBD
65.1
PSA (Ų)
0.53
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 C15H10N2O3
MW 266.26
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
19143528 10.1021/jm800720a Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine