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Compound Detail

CHEMBL5273750

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C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(S(=O)(=O)c3ccc4ccccc4c3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273750
Phase Preclinical
Structure Type MOL
InChI Key MSVZZNMMVMPSHC-KDJOFVNBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.22
ALogP
6
HBA
0
HBD
82.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO6S
MW 471.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 1.12

Literature References

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

Data from ChEMBL 36 via Core Engine