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Compound Detail

CHEMBL1371394

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CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1371394
Phase Preclinical
Structure Type MOL
InChI Key GPHHJHUXERLRCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
1.94
ALogP
5
HBA
1
HBD
115.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4O4
MW 236.19
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.44

Data from ChEMBL 36 via Core Engine