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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	MLS-0004183.0001
Molecular formula	C22H29ClN6O2
IUPAC name	7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Molecular weight	444.964
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.8
Synonyms	7-butyl-8-[[4-(3-chlorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine CHEBI:93024 MLS000080718 ST51072740 7-butyl-8-{[4-(3-chlorophenyl)piperazinyl]methyl}-1,3-dimethyl-1,3,7-trihydrop urine-2,6-dione cid_666267 MolPort-002-638-917 Z235449700 7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione AKOS001360565 SR-01000128109 7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione MLS002584887 STK583726 851937-66-1 HMS2413N04 REGID_for_CID_666267 ZINC96305233 7-butyl-8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione BDBM65735 MLS-0004183.0002 SR-01000128109-1 7-butyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione CHEMBL1444568 MLS002699437 UNM000000844601 7-butyl-8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione AC1LDFM5 MCULE-1040051890 SMR000035418 [ Show all ]
Inchi Key	CYKISVYTUCOJRU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29ClN6O2/c1-4-5-9-29-18(24-20-19(29)21(30)26(3)22(31)25(20)2)15-27-10-12-28(13-11-27)17-8-6-7-16(23)14-17/h6-8,14H,4-5,9-13,15H2,1-3H3
PubChem CID	666267
ChEMBL	CHEMBL1444568
IUPHAR	N/A
BindingDB	65735
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
53605	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
53606	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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