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Compound Detail

CHEMBL145542

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O=[N+]([O-])c1ccc(-c2nnn(CCO)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145542
Phase Preclinical
Structure Type MOL
InChI Key MYWJKHGQIKXSQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
0.24
ALogP
7
HBA
1
HBD
107.0
PSA (Ų)
0.60
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 C9H9N5O3
MW 235.20
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -2.33

Literature References

PubMed DOI Target Context # Activities
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] A 1
7490728 10.1021/jm00024a006 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine