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GPCR

NameAdenosine receptor A3
SpeciesHomo sapiens (Human)
GeneADORA3
SynonymARA3
Adenosine receptor A3
A3AR
A3 receptor
TGPCR1
DiseaseCerebrovascular ischaemia
Malaria
Ischemia
Inflammation
Hepatocellular carcinoma; Hepatitis C virus infection
[ Show all ]
Length318
Amino acid sequenceMPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProtP0DMS8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT36059
ChEMBLCHEMBL256
IUPHAR21
DrugBankBE0000354

Ligand

NameCHEMBL1258192
Molecular formulaC22H23N7O2
IUPAC name4-(furan-2-yl)-10-[3-(4-propan-2-yloxyphenyl)propyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular weight417.473
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50327463
2-(furan-2-yl)-7-(3-(4-isopropoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
Inchi KeyAGHKEJJPPICBKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N7O2/c1-14(2)31-16-9-7-15(8-10-16)5-3-11-28-20-17(13-24-28)21-25-19(18-6-4-12-30-18)27-29(21)22(23)26-20/h4,6-10,12-14H,3,5,11H2,1-2H3,(H2,23,26)
PubChem CID52946213
ChEMBLCHEMBL1258192
IUPHARN/A
BindingDB50327463
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition72.8 %PMID20801028ChEMBL

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