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Compound Detail

CHEMBL3883402

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O=[N+]([O-])c1cccc(/C=N/Nc2nncc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3883402
Phase Preclinical
Structure Type MOL
InChI Key GIXIVOHFCAVNCT-CXUHLZMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.98
ALogP
6
HBA
1
HBD
93.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11N5O2
MW 293.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine