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Compound Detail

CHEMBL196952

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CCCC1=C(O)SC(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196952
Phase Preclinical
Structure Type MOL
InChI Key ZFRLWZOHXIMRNA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
2.26
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.69
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 C8H12O2S
MW 172.25
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.46

Activity Summary

IC50 1 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