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Compound Detail

CHEMBL281944

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CCOC(=O)C1=CCC[S+](C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281944
Phase Preclinical
Structure Type MOL
InChI Key ZVKOIGFJQUFZGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

187.3
MW (Da)
1.13
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.48
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 C9H15O2S+
MW 187.28
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.29

Data from ChEMBL 36 via Core Engine