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Ligand

Name316173-57-6
Molecular formulaC20H19N7O2
IUPAC name4-(furan-2-yl)-10-[3-(4-methoxyphenyl)propyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular weight389.419
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.7
SynonymsSCH 442416
SCH-442416
UNII-ZMC4G1W59S
2-(Furan-2-yl)-7-(3-(4-methoxyphenyl)propyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SCH442416
[ Show all ]
Inchi KeyAEULVFLPCJOBCE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)
PubChem CID10668061
ChEMBLCHEMBL136689
IUPHAR3283
BindingDB50094037
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3855Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
3860Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
3853Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
3859Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
3856Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
3854Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
3857Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320
3858Adenosine receptor A3Q0VC81ADORA3Bos taurus (Bovine)317

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