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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	CHEMBL229179
Molecular formula	C23H31ClN6O3
IUPAC name	7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,3-dimethyl-8-propoxypurine-2,6-dione
Molecular weight	474.99
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50213578 7-{3-[4-(3-chlorophenyl)-piperazin-1-yl]-propyl}-8-propoxy-1,3-dimethyl-3,7-dihydropurine-2,6-dione
Inchi Key	BCBOERRUIROKSV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H31ClN6O3/c1-4-15-33-22-25-20-19(21(31)27(3)23(32)26(20)2)30(22)10-6-9-28-11-13-29(14-12-28)18-8-5-7-17(24)16-18/h5,7-8,16H,4,6,9-15H2,1-3H3
PubChem CID	44424657
ChEMBL	CHEMBL229179
IUPHAR	N/A
BindingDB	50213578
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
20018	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
20017	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
20019	5-hydroxytryptamine receptor 7	P32305	Htr7	Rattus norvegicus (Rat)	448

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