Structure

InChI Key VOYCNOJFAJAILW-CAMHOICYSA-N
Smile CSCC[C@H](N)C(=O)N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21
InChI
InChI=1S/C12H18N2O7S2/c1-22-3-2-5(13)9(15)14-12(11(18)19)4-23(20,21)8-6(7(8)12)10(16)17/h5-8H,2-4,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t5-,6+,7+,8-,12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N2O7S2
Molecular Weight 366.42
AlogP -1.87
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 163.86
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Metabotropic glutamate receptor 2 agonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Stress Disorders, Post-Traumatic 1 D013313 ClinicalTrials
Amphetamine-Related Disorders 1 D019969 ClinicalTrials
Psychotic Disorders 1 D011618 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2110730
EPA CompTox DTXSID00212944
FDA SRS 3V85EZ3KFQ
PharmGKB PA165816891
PubChem 56842185
SureChEMBL SCHEMBL1101575