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Ligand

NameBDBM50059399
Molecular formulaC32H29NO4
IUPAC name5-O-benzyl 3-O-propyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-3,4-dihydropyridine-3,5-dicarboxylate
Molecular weight491.587
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.1
Synonyms2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-benzyl ester 3-propyl ester
Inchi KeyFEOSNNOOLPCQIR-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H29NO4/c1-3-21-36-31(34)28-23(2)33-30(26-17-11-6-12-18-26)29(27(28)20-19-24-13-7-4-8-14-24)32(35)37-22-25-15-9-5-10-16-25/h4-18,27-28H,3,21-22H2,1-2H3
PubChem CID53795186
ChEMBLN/A
IUPHARN/A
BindingDB50059399
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
76488Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318
76489Adenosine receptor A3P28647Adora3Rattus norvegicus (Rat)320

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