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GPCR

NameAdenosine receptor A1
SpeciesRattus norvegicus (Rat)
GeneAdora1
SynonymA1 receptor
A1-AR
A1R
adenosine receptor A1
RDC7
DiseaseN/A for non-human GPCRs
Length326
Amino acid sequenceMPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProtP25099
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL318
IUPHAR18
DrugBankN/A

Ligand

NameCHEMBL72953
Molecular formulaC14H15F2N5
IUPAC name1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Molecular weight291.306
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
Synonyms(1-Ethyl-7,8-difluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-isopropyl-amine
BDBM50015781
4-Isopropylamino-1-ethyl-7,8-difluoro[1,2,4]triazolo[4,3-a]quinoxaline
Inchi KeyADWNEKQETWWCTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15F2N5/c1-4-12-19-20-14-13(17-7(2)3)18-10-5-8(15)9(16)6-11(10)21(12)14/h5-7H,4H2,1-3H3,(H,17,18)
PubChem CID13385793
ChEMBLCHEMBL72953
IUPHARN/A
BindingDB50015781
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50280.0 nMPMID2374150BindingDB,ChEMBL

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