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Compound Detail

CHEMBL196112

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CCCCCCOCCOCCC1(C)SC(O)=C(CC)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196112
Phase Preclinical
Structure Type MOL
InChI Key BPFVDADUVCXZTF-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
4.24
ALogP
5
HBA
1
HBD
55.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H30O4S
MW 330.49
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.31

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
16161997 10.1021/jm049067d Plasmodium falciparum 1
16161997 10.1021/jm049067d Trypanosoma cruzi 1
16161997 10.1021/jm049067d Trypanosoma brucei rhodesiense 1
16161997 10.1021/jm049067d Beta-ketoacyl-ACP-synthase III 1

Data from ChEMBL 36 via Core Engine