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Compound Detail

CHEMBL2235201

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O=[N+]([O-])c1ccc(/C=C2\CCCC3C2=NNC3c2ccc([N+](=O)[O-])cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2235201
Phase Preclinical
Structure Type MOL
InChI Key SJMNREBVDHZEOD-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.39
ALogP
6
HBA
1
HBD
110.7
PSA (Ų)
0.63
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 C20H18N4O4
MW 378.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9521-0 NON-PROTEIN TARGET 1
- 10.1007/s00044-010-9521-0 RAW264.7 1

Data from ChEMBL 36 via Core Engine