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Compound Detail

CHEMBL83206

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Cc1cc(-c2ccc([N+](=O)[O-])cc2)n[n+](CCCC(=O)O)c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83206
Phase Preclinical
Structure Type MOL
InChI Key CLLCADAJAIGCCN-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
1.70
ALogP
5
HBA
2
HBD
123.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N4O4+
MW 317.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.59

Data from ChEMBL 36 via Core Engine