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Compound Detail

CHEMBL324161

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NC(=O)c1cc([N+](=O)[O-])c(N2CC2)c([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324161
Phase Preclinical
Structure Type MOL
InChI Key NYNKICKUYWHEGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
0.42
ALogP
6
HBA
1
HBD
132.4
PSA (Ų)
0.47
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 C9H8N4O5
MW 252.19
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
15163209 10.1021/jm0498699 No relevant target 2
15163209 10.1021/jm0498699 V79 1
15163209 10.1021/jm0498699 WiDr-NTR 1
15163209 10.1021/jm0498699 SK-OV-3 1
15163209 10.1021/jm0498699 EMT6 1

Data from ChEMBL 36 via Core Engine