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Ligand

NameCHEMBL3314874
Molecular formulaC27H26N6O4
IUPAC name5-[(3,4-dimethoxyphenyl)methylamino]-2-(furan-2-yl)-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
Molecular weight498.543
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50048061
Inchi KeyAISRPRRMNYPGJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26N6O4/c1-35-21-11-10-19(15-23(21)36-2)16-29-27-30-17-20(26(34)28-13-12-18-7-4-3-5-8-18)25-31-24(32-33(25)27)22-9-6-14-37-22/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,28,34)(H,29,30)
PubChem CID118707843
ChEMBLCHEMBL3314874
IUPHARN/A
BindingDB50048061
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
441942Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
441941Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
441943Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
441944Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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