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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 [ 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 |
Name | CHEMBL275421 |
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Molecular formula | C22H23N5O |
IUPAC name | 4-(cyclohexylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one |
Molecular weight | 373.46 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 4.3 |
Synonyms | 4-(cyclohexylamino)-2-m-tolyl-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one BDBM50086130 4-Cyclohexylamino-2-m-tolyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one 2-(3-Methylphenyl)-4-(cyclohexylamino)[1,2,4]triazolo[4,3-a]quinoxaline-1(2H)-one |
Inchi Key | AMXKVGAJMUQALJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H23N5O/c1-15-8-7-11-17(14-15)27-22(28)26-19-13-6-5-12-18(19)24-20(21(26)25-27)23-16-9-3-2-4-10-16/h5-8,11-14,16H,2-4,9-10H2,1H3,(H,23,24) |
PubChem CID | 10667072 |
ChEMBL | CHEMBL275421 |
IUPHAR | N/A |
BindingDB | 50086130 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 548.0 nM | PMID10737748 | BindingDB,ChEMBL |
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