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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	Cgs 15943
Molecular formula	C13H8ClN5O
IUPAC name	9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Molecular weight	285.691
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.5
Synonyms	Tox21_500324 9-chloro-2-(furan-2-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine AKOS015906465 CCG-100792 HMS2051C13 Lopac0_000324 NCGC00015193-01 NCGC00025264-02 SCHEMBL1906971 9-Chloro-2-(2-furanyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-amine 9-Chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine [1,2,4]Triazolo[1,5-c]quinazolin-5-amine,9-chloro-2-(2-furanyl)- 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943) B6835 CGS-15943 CTK4A3171 HMS3393C13 MLS000758223 NCGC00015193-04 NCGC00261009-01 (1,2,4)Triazolo(1,5-c)quinazolin-5-amine, 9-chloro-2-(2-furanyl)- SR-01000075210 SYN5006 9-chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine AC1Q3MS4 BRD-K49049886-001-03-8 CHEBI:131351 EU-0100324 L000176 MSJODEOZODDVGW-UHFFFAOYSA-N NCGC00015193-07 PDSP2_001076 ZINC3872013 9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine AOB33765 CHEMBL16687 HMS3261A09 LP00324 NCGC00015193-02 NCGC00025264-03 SCHEMBL3844736 9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine [9-chloro-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-amine 9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943) BDBM50004566 CGS-15943, solid D0Q6WX I14-22041 MLS001423961 NCGC00015193-05 Nonnucleoside analog, 4 SR-01000075210-1 Tocris-1699 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine ACMC-20ddlj C-199 CHEBI:92849 GTPL384 Lopac-C-199 NC00042 NCGC00025264-01 SAM001246973 [1,2,4]Triazolo[1,5-c]quinazolin-5-amine, 9-chloro-2-(2-furanyl)- 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine AS-16373 CGS 15943A CPD000449284 HMS3268O19 LS-184727 NCGC00015193-03 NCGC00025264-04 SMR000449284 9-chloro-2-(2-furanyl)-5,6-dihydro-1,2,4-triazolo (1,5-c)quinazolin-5-imine 9-chloro-2-(2-furyl)-5-imino-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline AC1L1E8T BN0142 CGS15943 DTXSID80146617 J-001205 MolPort-003-940-664 NCGC00015193-06 PDSP1_001092 104615-18-1 SR-01000075210-3 [ Show all ]
Inchi Key	MSJODEOZODDVGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
PubChem CID	2690
ChEMBL	CHEMBL16687
IUPHAR	384
BindingDB	50004566
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	406.0 nM	PMID11123985	ChEMBL
IC50	406.0 nM	PMID11123985	BindingDB
Inhibition	30.0 %	PMID11123985	ChEMBL
Ki	7.9 nM	PMID9767636	ChEMBL
Ki	12.5893 - 100.0 nM	PMID9459566, PMID9933143, PMID10779381, PMID8863790	IUPHAR
Ki	13.8 nM	PMID8863790, PMID21511471, PMID9767636, PMID9667972	BindingDB,ChEMBL
Ki	14.0 nM	PMID9622554	BindingDB,ChEMBL
Ki	16.1 nM	PMID23200243	ChEMBL
Ki	35.0 nM	PMID23200243	ChEMBL
Ki	50.8 nM	PMID9459566	PDSP,BindingDB
Ki	65.0 nM	PMID10779381	PDSP,BindingDB
Ki	85.0 nM	PMID16821770, PMID15634009, PMID11123985	BindingDB,ChEMBL
Ki	90.0 nM	PMID10779381	PDSP,BindingDB
Ki	95.0 nM	PMID24164628, PMID9933143	PDSP,BindingDB,ChEMBL
Ki	122.0 nM	PMID11809867	PDSP,BindingDB
Ki	140.0 nM	PMID11262085	ChEMBL
Ki	143.0 nM	PMID9767636, PMID10841801	ChEMBL
Ki	253.0 nM	PMID11708915	ChEMBL
Ki	3260.0 nM	PMID11708915	ChEMBL
Ki	84918.0 nM	PMID21163647	BindingDB,ChEMBL

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