FOLIGLURAX

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Search structure


Synonyms	DT-1687 DT1687 Foliglurax PXT-002331 PXT002331 Pxt002331
Status
Molecule Category	UNKNOWN
UNII	FR50CP1D6W


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

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


Protein: Metabotropic glutamate receptor 4 Description: Metabotropic glutamate receptor 4 Organism : Homo sapiens Q14833 ENSG00000124493

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	47	-	-	-	-

Assay Description	Organism	Bioactivity	Reference
Positive allosteric modulation of recombinant human mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-induced calcium flux preincubated for 10 mins followed by glutamate addition measured for 3 mins by Fluo4-AM dye based fluorescence assay	Homo sapiens	79.0 nM
Positive allosteric modulation of rat mGlu4 receptor expressed in HEK293 cells co-expressing Gi/Gq assessed as increase in glutamate-induced calcium flux preincubated for 10 mins followed by glutamate addition measured for 3 mins by Fluo4-AM dye based fluorescence assay	Rattus norvegicus	47.0 nM

Cross References

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).