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Compound Detail

CHEMBL1182675

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O=[N+]([O-])c1cc2c(cc1-c1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182675
Phase Preclinical
Structure Type MOL
InChI Key TYYVAWPJHZGWRB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
4.47
ALogP
7
HBA
1
HBD
90.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N4O4S+
MW 419.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine