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Compound Detail

CHEMBL1179906

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CCc1ccc(SC(=O)OCC[N+](C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179906
Phase Preclinical
Structure Type MOL
InChI Key AGUNHRMMKYCFLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

268.4
MW (Da)
3.18
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.47
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 C14H22NO2S+
MW 268.40
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.18

Data from ChEMBL 36 via Core Engine