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Ligand

NameMRE 3008-F20
Molecular formulaC21H20N8O3
IUPAC name1-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
Molecular weight432.444
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.5
SynonymsAKOS024457944
J1.251.181G
N-[2-(2-Furanyl)-8-propyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-N'-(4-methoxyphenyl)urea
3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(12),2,4,7,9-pentaen-7-yl]-1-(4-methoxyphenyl)urea
CHEMBL302765
[ Show all ]
Inchi KeyCJRNHKSLHHWUAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20N8O3/c1-3-10-28-12-15-17(26-28)24-20(25-21(30)22-13-6-8-14(31-2)9-7-13)29-19(15)23-18(27-29)16-5-4-11-32-16/h4-9,11-12H,3,10H2,1-2H3,(H2,22,24,25,26,30)
PubChem CID5310960
ChEMBLCHEMBL302765
IUPHAR459, 477
BindingDB85618
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43644Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
43645Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
43648Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
43649Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
43647Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
43646Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
43650Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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