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GLASS

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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	14114-46-6
Molecular formula	C10H10N4O2
IUPAC name	3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
Molecular weight	218.216
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.0
Synonyms	NCGC00015312-02 NSC 242985 UNII-5YFR5SPS6T 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)- 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione AC1Q6LFB CCG-204520 DS-16284 J-007467 LP00428 NCGC00015312-05 SCHEMBL44805 3,7-Dimethyl-1-(2-propynyl)xanthine 3,7-Dimethyl-I-propargylxanthine ANW-57638 CJ-29818 FT-0614782 MLS000862190 NCGC00093849-03 SR-01000075249-1 3,7-dimethyl-1-(prop-2-ynyl)-1H-purine-2,6(3H,7H)-dione 6856AA BDBM50008386 D-134 HMS3370E07 Lopac-D-134 NCGC00015312-03 NSC-242985 ZINC1764195 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-1H-purine-2,6-dione 3,7-Dimethyl-1-propargylxanthine AJ-31622 DTXSID30161577 LS-184216 NCGC00093849-01 SMR000326953 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione AX8083132 CS-W004425 HMS2231E22 NCGC00015312-01 NCGC00261113-01 Tox21_500428 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)- 3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione AC1L40ZE C-56140 DMPX IORPOFJLSIHJOG-UHFFFAOYSA-N Lopac0_000428 NCGC00015312-04 NSC242985 3,7-dimethyl-1-(2-propyn-1-yl)-3,7-dihydro-1h-purine-2,6-dione 3,7-Dimethyl-1-propargylxanthine, >=98% (HPLC), powder AKOS016001452 CHEMBL282038 EU-0100428 MFCD00078576 NCGC00093849-02 SR-01000075249 3,7-dimethyl-1-(prop-2-yn-1-yl)purine-2,6-dione 5YFR5SPS6T BCP26239 CTK8B7549 HMS3261E18 [ Show all ]
Inchi Key	IORPOFJLSIHJOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
PubChem CID	99562
ChEMBL	CHEMBL282038
IUPHAR	N/A
BindingDB	50008386
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	<10000.0 nM	PMID24139167	ChEMBL

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