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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Fezolinetant
Molecular formula	C16H15FN6OS
IUPAC name	(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Molecular weight	358.395
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.6
Synonyms	CS-7952 HY-19632 SCHEMBL16114810 ESN-364 83VNE45KXX Methanone, ((8R)-5,6-dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)(4-fluorophenyl)- CHEMBL3608680 UNII-83VNE45KXX 1629229-37-3 BDBM50112244 SB19658 [ Show all ]
Inchi Key	PPSNFPASKFYPMN-SECBINFHSA-N
Inchi ID	InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
PubChem CID	117604931
ChEMBL	CHEMBL3608680
IUPHAR	N/A
BindingDB	50112244
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
495785	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
495786	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
565547	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
565546	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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