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Compound Detail

CHEMBL1179833

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CCCCCCCSC(=O)OCC[N+](C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179833
Phase Preclinical
Structure Type MOL
InChI Key XMVIJBDXRKNDBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
3.53
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H28NO2S+
MW 262.44
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.48

Data from ChEMBL 36 via Core Engine