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Compound Detail

CHEMBL1182666

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O=[N+]([O-])c1cc2c(cc1CCc1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182666
Phase Preclinical
Structure Type MOL
InChI Key RKBLKTJPQJJJJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.59
ALogP
7
HBA
1
HBD
90.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N4O4S+
MW 447.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine