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Compound Detail

CHEMBL5278649

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CCCCCCCCS(=O)(=O)N1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278649
Phase Preclinical
Structure Type MOL
InChI Key MBSTUGUSIHFBCU-LYMCCBNHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
4.37
ALogP
6
HBA
0
HBD
82.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H39NO6S
MW 457.63
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.55

Literature References

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

Data from ChEMBL 36 via Core Engine