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Compound Detail

CHEMBL1181402

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NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2SC(=O)CCCC[n+]2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181402
Phase Preclinical
Structure Type MOL
InChI Key SZAAPZOWNBTYNS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
3.04
ALogP
5
HBA
2
HBD
110.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N3O4S2+
MW 484.62
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.13

Data from ChEMBL 36 via Core Engine