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Ligand

NameCHEMBL473650
Molecular formulaC21H14N6O2
IUPAC nameN-(3-oxo-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-7-yl)benzamide
Molecular weight382.383
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.8
SynonymsBDBM50257028
N-(1-oxo-2-phenyl-1,2-dihydropyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazin-4-yl)benzamide
Inchi KeyAAGFKZWKWAMJNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H14N6O2/c28-20(14-8-3-1-4-9-14)24-18-19-25-27(15-10-5-2-6-11-15)21(29)26(19)16-12-7-13-22-17(16)23-18/h1-13H,(H,22,23,24,28)
PubChem CID42626004
ChEMBLCHEMBL473650
IUPHARN/A
BindingDB50257028
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
185Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
187Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
188Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
186Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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