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Ligand

NameCHEMBL3581311
Molecular formulaC19H26N10O
IUPAC name2-[3-(dimethylamino)propyl]-1-ethyl-3-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]guanidine
Molecular weight410.486
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.1
SynonymsBDBM50092309
1-Ethyl-3-(3-(N,N-dimethylamino)propyl)-2-(2-methyl-9-(2-furyl)-4,5-(iminomethanimino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidine-8,10(4)-diene-6-yl)guanidine
Inchi KeyAJAAGHYTDBRMNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H26N10O/c1-5-20-18(21-9-7-10-27(2)3)24-19-23-15-13(12-28(4)25-15)17-22-16(26-29(17)19)14-8-6-11-30-14/h6,8,11-12H,5,7,9-10H2,1-4H3,(H2,20,21,23,24,25)
PubChem CID122178757
ChEMBLCHEMBL3581311
IUPHARN/A
BindingDB50092309
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463670Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
463672Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
463671Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
463669Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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