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Compound Detail

CHEMBL202786

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N[C@H](Cn1ccc(=O)n(Cc2ccsc2C(=O)O)c1=O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202786
Phase Preclinical
Structure Type MOL
InChI Key UAXLYVRHOALTNF-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
-0.77
ALogP
8
HBA
3
HBD
144.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O6S
MW 339.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
16610801 10.1021/jm051086f Glutamate receptor ionotropic, AMPA 1
16610801 10.1021/jm051086f Glutamate receptor ionotropic, kainate 2 1
16610801 10.1021/jm051086f Glutamate receptor ionotropic, kainate 5 1

Data from ChEMBL 36 via Core Engine