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Compound Detail

CHEMBL5595328

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C[C@H](OCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595328
Phase Preclinical
Structure Type MOL
InChI Key NCEIBCXHSGVMIQ-XARCMNISSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

394.6
MW (Da)
3.47
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H38O5
MW 394.55
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.07

Literature References

PubMed DOI Target Context # Activities
39149112 10.1039/d4md00007b Plasmodium falciparum 4
39149112 10.1039/d4md00007b No relevant target 1
39149112 10.1039/d4md00007b Erythrocyte 1

Data from ChEMBL 36 via Core Engine