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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	CHEMBL228940
Molecular formula	C21H27ClN6O3
IUPAC name	7-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-dimethyl-9H-purine-2,6,8-trione
Molecular weight	446.936
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.6
Synonyms	7-{4-[4-(3-chlorophenyl)-piperazin-1-yl]-butyl}-1,3-dimethyl-7,9-dihydro-3H-purine-2,6,8-trione BDBM50213572
Inchi Key	CGFQYESPMKJYLK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27ClN6O3/c1-24-18-17(19(29)25(2)21(24)31)28(20(30)23-18)9-4-3-8-26-10-12-27(13-11-26)16-7-5-6-15(22)14-16/h5-7,14H,3-4,8-13H2,1-2H3,(H,23,30)
PubChem CID	44424670
ChEMBL	CHEMBL228940
IUPHAR	N/A
BindingDB	50213572
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
41271	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
41272	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
41270	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448

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