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Compound Detail

CHEMBL379934

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CC1(C)SC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N1C(=O)CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379934
Phase Preclinical
Structure Type BOTH
InChI Key YOXXMVHRTIXBJL-YUMQZZPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
-0.94
ALogP
6
HBA
4
HBD
150.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3O6S
MW 347.39
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
16650992 10.1016/j.bmcl.2006.04.033 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine