Structure

InChI Key ZTEDNASHAWNBKQ-NCELDCMTSA-N
Smile O/N=c1\cc(-c2cc3sccc3cn2)oc2ccc(CCCN3CCOCC3)cc12
InChI
InChI=1S/C23H23N3O3S/c27-25-19-13-22(20-14-23-17(15-24-20)5-11-30-23)29-21-4-3-16(12-18(19)21)2-1-6-26-7-9-28-10-8-26/h3-5,11-15,27H,1-2,6-10H2/b25-19+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23N3O3S
Molecular Weight 421.52
AlogP 4.26
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 71.09
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Metabotropic glutamate receptor 4 positive allosteric modulator PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Parkinson Disease 2 D010300 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1883329-53-0
ChEMBL CHEMBL4089083
DrugBank DB15292
FDA SRS FR50CP1D6W
Guide to Pharmacology 9622
PubChem 135565465
SureChEMBL SCHEMBL17541451