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Compound Detail

CHEMBL4525649

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O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4525649
Phase Preclinical
Structure Type MOL
InChI Key YMHAHYRCKZSMDS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
1.67
ALogP
5
HBA
1
HBD
98.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9N3O4
MW 247.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 2

Data from ChEMBL 36 via Core Engine