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Compound Detail

CHEMBL196874

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CCC1=C(O)OC(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196874
Phase Preclinical
Structure Type MOL
InChI Key GMYXRSOIZDSJIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

142.2
MW (Da)
1.15
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10O3
MW 142.15
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.02

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

Data from ChEMBL 36 via Core Engine