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Compound Detail

CHEMBL60093

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CC1CCCC2C3CCCC(C)C3(O)OOC12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60093
Phase Preclinical
Structure Type MOL
InChI Key QJXAQYQDXNMHNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.20
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24O4
MW 256.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.20

Literature References

PubMed DOI Target Context # Activities
12781185 10.1016/s0960-894x(03)00326-3 Plasmodium falciparum 1
12781185 10.1016/s0960-894x(03)00326-3 Trypanosoma brucei 1
12781185 10.1016/s0960-894x(03)00326-3 Trypanosoma cruzi 1
12781185 10.1016/s0960-894x(03)00326-3 Leishmania infantum 1
12781185 10.1016/s0960-894x(03)00326-3 MRC5 1

Data from ChEMBL 36 via Core Engine