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Compound Detail

CHEMBL4300225

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CCn1c(=O)/c(=C2\Sc3cc(Cl)ccc3N2C)s/c1=C\c1scc[n+]1Cc1ccccc1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300225
Phase Preclinical
Structure Type MOL
InChI Key GISUZONYLZTHHZ-WJTDDFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

557.1
MW (Da)
3.90
ALogP
8
HBA
0
HBD
55.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClN3O3S3+
MW 557.14
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine