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Compound Detail

CHEMBL4300151

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CCn1c(=O)/c(=C2\Sc3ccc(OC)cc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300151
Phase Preclinical
Structure Type MOL
InChI Key IZQXZCKHBAXTQF-WJTDDFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.7
MW (Da)
3.47
ALogP
7
HBA
0
HBD
38.4
PSA (Ų)
0.40
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 C25H24N3O2S3+
MW 494.69
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine