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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	MRS 1754
Molecular formula	C26H26N6O4
IUPAC name	N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
Molecular weight	486.532
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	ATL-GW-22 CHEMBL273807 GTPL453 M 6316 N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide NCGC00094075-02 [3H]MRS1754 (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester A2B adenosine receptor antagonists, Adenosine/Ortho-McNeil BDBM50086170 D0NE5P HMS3373J21 NCGC00015689-01 SMR001230737 AKOS024457276 ATL-618 CHEBI:93269 EX-3306 Lopac-M-6316 N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide NCGC00015689-04 ZINC4475274 A2B adenosine receptor antagonists (oral, asthma/diabetes), Adenosine Therapeutics ATL-GW-8 CTK8E7916 HMS2230A06 MLS002153324 N-(4-Cyanophenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-acetamide NCGC00094075-03 264622-58-4 AC1O7G54 AKOS027427086 BRD-K72024482-001-01-3 DTXSID80424967 J-016440 MRS-1754 NCGC00015689-02 SR-01000076213 ATL-844 GTPL449 Lopac0_000729 N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754) NCGC00094075-01 [3H]-MRS1754 A2B adenosine receptor antagonists (oral, asthma/diabetes), Clinical Data B7173 D01QYQ HMS3268F13 MolPort-023-276-567 N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide SCHEMBL1222380 Acetamide,N-(4-cyanophenyl)-2-[4-(2,3,6,9-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]- AOB5542 CCG-204814 EU-0100729 L000415 MRS1754 NCGC00015689-03 SR-01000076213-1 8-[4-[((4-Cyanophenyl)carbamoylmethyl)oxy]phenyl]-1,3-di(n-propyl)xanthine [ Show all ]
Inchi Key	AJBBEYXFRYFVNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
PubChem CID	6603931
ChEMBL	CHEMBL273807
IUPHAR	453, 449
BindingDB	50086170
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<290.0 nM	PMID15664822	BindingDB,ChEMBL
Ki	570.0 nM	PMID10737749, PMID11906291, PMID22148859, PMID20537438, PMID19569717, PMID16759111	BindingDB,IUPHAR,ChEMBL
Ki	575.44 nM	PMID16392813	BindingDB,ChEMBL

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