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Compound Detail

CHEMBL1181528

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CCn1c(=O)/c(=C2\SCCN2C)s/c1=C\c1cccc[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181528
Phase Preclinical
Structure Type MOL
InChI Key WENHATYSBSYKLR-JQIJEIRASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.5
MW (Da)
0.33
ALogP
5
HBA
0
HBD
29.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N3OS2+
MW 334.49
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine