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Compound Detail

CHEMBL1627144

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O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCNCC2)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1627144
Phase Preclinical
Structure Type MOL
InChI Key JCBQUWJFNAYRGL-LGMDPLHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
0.97
ALogP
8
HBA
1
HBD
149.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N6O6
MW 326.27
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine