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Ligand

NameBDBM50059386
Molecular formulaC28H29NO4
IUPAC name5-O-tert-butyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-3,4-dihydropyridine-3,5-dicarboxylate
Molecular weight443.543
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.0
Synonyms2-Methyl-6-phenyl-4-phenylethynyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 5-tert-butyl ester 3-ethyl ester
Inchi KeyAABPBNJVYVWAJE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29NO4/c1-6-32-26(30)23-19(2)29-25(21-15-11-8-12-16-21)24(27(31)33-28(3,4)5)22(23)18-17-20-13-9-7-10-14-20/h7-16,22-23H,6H2,1-5H3
PubChem CID53631962
ChEMBLN/A
IUPHARN/A
BindingDB50059386
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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