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Compound Detail

CHEMBL5190364

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CO[C@H]1O[C@H](CS(=O)(=O)CCN)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5190364
Phase Preclinical
Structure Type MOL
InChI Key JIRJTFWMRNOCAG-ZEBDFXRSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
-3.19
ALogP
8
HBA
4
HBD
139.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H19NO7S
MW 285.32
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.34

Activity Summary

Ki 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.64 4.64 22800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 22800.0 nM 4.64 Binding affinity to Plasmodium falciparum GluPho 35239352

Literature References

PubMed DOI Target Context # Activities
35239352 10.1021/acs.jmedchem.1c01577 Unchecked 2
35239352 10.1021/acs.jmedchem.1c01577 Glucose-6-phosphate 1-dehydrogenase 1

Data from ChEMBL 36 via Core Engine