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Compound Detail

CHEMBL117133

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O=C(O)C[S+]([O-])C[C@H](O)COP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117133
Phase Preclinical
Structure Type MOL
InChI Key ODDIVGXHPNIKDR-SLNZODJKSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

262.2
MW (Da)
-1.71
ALogP
5
HBA
4
HBD
147.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H11O8PS
MW 262.18
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.82

Activity Summary

IC50 2 meas.
Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
15189039 10.1021/jm031066i 6-phosphogluconate dehydrogenase, decarboxylating 2
15189039 10.1021/jm031066i Unchecked 1
15189039 10.1021/jm031066i Trypanosoma brucei 1
15189039 10.1021/jm031066i Trypanosoma cruzi 1
15189039 10.1021/jm031066i Leishmania donovani 1
15189039 10.1021/jm031066i Plasmodium falciparum 1
15189039 10.1021/jm031066i L6 1

Data from ChEMBL 36 via Core Engine