LY404039

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 531QUG7P9E

Structure
InChI Key AVDUGNCTZRCAHH-MDASVERJSA-N
Smile N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21
InChI
InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9NO6S
Molecular Weight 235.22
AlogP -2.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 134.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Metabotropic glutamate receptor 2 agonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) Metabotropic glutamate receptor
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94640
ChEMBL CHEMBL375611
EPA CompTox DTXSID40212943
FDA SRS 531QUG7P9E
SureChEMBL SCHEMBL1088010
ZINC ZINC000013910898
CONTENTS