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Compound Detail

CHEMBL2235209

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O=C(c1ccccc1)N1N=C2/C(=C/c3ccc([N+](=O)[O-])cc3)CCCC2C1c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2235209
Phase Preclinical
Structure Type MOL
InChI Key XBOBHRFVHCOBMV-HEHNFIMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
5.94
ALogP
6
HBA
0
HBD
119.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22N4O5
MW 482.50
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.84

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