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Compound Detail

CHEMBL40390

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CCSC(=O)OC/C=C(\C)CCC1OC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40390
Phase Preclinical
Structure Type MOL
InChI Key KCRMLSFWSQXHGA-CSKARUKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
3.78
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H22O3S
MW 258.38
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 2.00

Literature References

PubMed DOI Target Context # Activities
9554887 10.1021/jm970860z Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine