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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

NameCHEMBL420368
Molecular formulaC14H11ClF5N5
IUPAC name8-chloro-1-(1,1,2,2,2-pentafluoroethyl)-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Molecular weight379.719
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.9
Synonyms8-Chloro-4-isopropylamino-1-(pentafluoroethyl)[1,2,4]triazolo[4,3-a]quinoxaline
(8-Chloro-1-pentafluoroethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-isopropyl-amine
BDBM50015801
SCHEMBL10849086
Inchi KeyABXBWLHLNNKNIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11ClF5N5/c1-6(2)21-10-11-23-24-12(13(16,17)14(18,19)20)25(11)9-5-7(15)3-4-8(9)22-10/h3-6H,1-2H3,(H,21,22)
PubChem CID13385839
ChEMBLCHEMBL420368
IUPHARN/A
BindingDB50015801
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5024.0 nMPMID2374150BindingDB,ChEMBL

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