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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	Cangrelor
Molecular formula	C17H25Cl2F3N5O12P3S2
IUPAC name	[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Molecular weight	776.346
Hydrogen bond acceptor	21
Hydrogen bond donor	7
XlogP	-1.0
Synonyms	Kengreal [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid 163706-06-7 AKOS027326862 ARL69931 CHEMBL334966 oryl)methyl)phosphonic acid 5'-Adenylicacid,N-[2-(methylthio)ethyl]-2-[(3,3,3-trifluoropropyl)thio]-,anhydridewithP,P'-(dichloromethylene)bis[phosphonicacid](1:1) AN-37839 Cangrelor (AR-C69931) FT-0771866 UNII-6AQ1Y404U7 (dichloro((((((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-((2-(methylthio)ethyl)amino)-2-((3,3,3-trifluoropropyl)thio)-9H-purin-9-yl)tetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosph 6AQ1Y404U7 AR-C69931XX CHEBI:90841 D03359 Kengreal (TN) [dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(2-methylsulfanylethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid AM85616 BDBM50118225 DB06441 SB16788 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine AR-C 69931 Cangrelor (USAN/INN) GTPL1776 ZINC85537017 (Dichloromethylene)diphosphonic N-(2-(methylsulfanyl)ethyl)-2-((3,3,3-trifluoropropyl)sulfanyl-5'-adenylic monoanhydride AC-28809 ARL 69931MX D09QBG kengrexal 5'-Adenylic acid, N-(2-(methylthio)ethyl)-2-((3,3,3-trifluoropropyl)thio)-, monoanhydride with (dichloromethylene)bis(phosphonic acid) AMMD00024 DTXSID90167651 SCHEMBL6113860 AR-C-69931MX Cangrelor [USAN:INN:BAN] [ Show all ]
Inchi Key	PAEBIVWUMLRPSK-IDTAVKCVSA-N
Inchi ID	InChI=1S/C17H25Cl2F3N5O12P3S2/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32)/t8-,10-,11-,14-/m1/s1
PubChem CID	9854012
ChEMBL	CHEMBL334966
IUPHAR	1776
BindingDB	50118225
DrugBank	DB06441
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
254642	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342
554530	P2Y purinoceptor 13	Q9BPV8	P2RY13	Homo sapiens (Human)	354
554531	Uracil nucleotide/cysteinyl leukotriene receptor	Q6NS65	Gpr17	Mus musculus (Mouse)	339

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