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Compound Detail

CHEMBL5276892

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C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5276892
Phase Preclinical
Structure Type MOL
InChI Key ODIXUNNOXLSJGI-MZGAJGTKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
2.98
ALogP
8
HBA
0
HBD
125.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O8S
MW 466.51
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 0.80

Literature References

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

Data from ChEMBL 36 via Core Engine