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Compound Detail

CHEMBL4594629

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COc1ccc2c(c1)c(-c1[nH]c3cccc[n+]3c1C)cn2S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594629
Phase Preclinical
Structure Type MOL
InChI Key SJTRTMWJCBAHFJ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
3.93
ALogP
4
HBA
1
HBD
68.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N3O3S+
MW 418.50
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine