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Compound Detail

CHEMBL441514

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C[C@@H]1CCC[C@@H](C)C12OOC1(OO2)[C@@H](C)CCC[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL441514
Phase Preclinical
Structure Type MOL
InChI Key QNLUHHKOKLCMNG-KJGYPYNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
4.20
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.62
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 C16H28O4
MW 284.40
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
10737758 10.1021/jm990530+ Plasmodium falciparum 2
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine