Structure

InChI Key ZTEDNASHAWNBKQ-NCELDCMTSA-N
Smiles 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

Mechanism of Action Action Reference
Metabotropic glutamate receptor 4 positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
79 - - - -
Rattus norvegicus
47 - - - -

Target Conservation

Protein: Metabotropic glutamate receptor 4

Description: Metabotropic glutamate receptor 4

Organism : Homo sapiens

Q14833 ENSG00000124493

Cross References

Resources Reference
ChEMBL CHEMBL4089083
DrugBank DB15292
FDA SRS FR50CP1D6W
Guide to Pharmacology 9622
PubChem 135565465
SureChEMBL SCHEMBL17541451