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Compound Detail

CHEMBL389557

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N[C@H](C(=O)O)[C@H]1C[C@H]1S(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389557
Phase Preclinical
Structure Type MOL
InChI Key XFYDZMMMXYAZLT-NUNKFHFFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
-1.33
ALogP
4
HBA
3
HBD
117.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H9NO5S
MW 195.20
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
17725337 10.1021/jm070322e Unchecked 2
17725337 10.1021/jm070322e Metabotropic glutamate receptor 4 1
17725337 10.1021/jm070322e Metabotropic glutamate receptor 1 1
17725337 10.1021/jm070322e Metabotropic glutamate receptor 5 1
17725337 10.1021/jm070322e Metabotropic glutamate receptor 2 1
17725337 10.1021/jm070322e Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine