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Compound Detail

CHEMBL1185409

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C(/C=C/c1sc(Nc2ccccc2)n[n+]1-c1ccccc1)=C\c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185409
Phase Preclinical
Structure Type MOL
InChI Key IWWIKWROZWNELY-AITIXOJYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
5.62
ALogP
5
HBA
1
HBD
47.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N3O2S+
MW 426.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine