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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	Centpyraquin
Molecular formula	C22H25FN2O
IUPAC name	4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-1-one
Molecular weight	352.453
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.1
Synonyms	26049-76-3 AC1L4BAH 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-1-(4-fluorophenyl)butan-1-one BDBM50133928 1-(4-Fluoro-phenyl)-4-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-butan-1-one CHEMBL341774 [ Show all ]
Inchi Key	CDMKFCYALGWSEN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25FN2O/c23-19-10-7-18(8-11-19)22(26)6-3-13-24-14-15-25-20(16-24)12-9-17-4-1-2-5-21(17)25/h1-2,4-5,7-8,10-11,20H,3,6,9,12-16H2
PubChem CID	182600
ChEMBL	CHEMBL341774
IUPHAR	N/A
BindingDB	50133928
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
39437	D(1B) dopamine receptor	P25115	Drd5	Rattus norvegicus (Rat)	475
39436	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
39439	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446
39438	D(4) dopamine receptor	P30729	Drd4	Rattus norvegicus (Rat)	387

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