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Compound Detail

CHEMBL212623

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CCN(CC)/[N+]([O-])=N\Oc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212623
Phase Preclinical
Structure Type MOL
InChI Key YZDIQSVEUOCXTI-SDNWHVSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.2
MW (Da)
2.11
ALogP
5
HBA
0
HBD
94.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N4O4
MW 254.25
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
16821795 10.1021/jm060022h HL-60 1

Data from ChEMBL 36 via Core Engine