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Compound Detail

CHEMBL5289800

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C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(S(=O)(=O)c3cccc4cccnc34)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289800
Phase Preclinical
Structure Type MOL
InChI Key FPTLUPXPECXQRC-PSPQXMTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
3.62
ALogP
7
HBA
0
HBD
95.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O6S
MW 472.56
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.94

Literature References

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

Data from ChEMBL 36 via Core Engine