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Compound Detail

CHEMBL2235205

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CC(=O)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCCC2C1c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2235205
Phase Preclinical
Structure Type MOL
InChI Key XLUWHVFDVKNBDU-GHRIWEEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
4.65
ALogP
6
HBA
0
HBD
119.0
PSA (Ų)
0.53
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 C22H20N4O5
MW 420.43
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.77

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