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Ligand

NameMLS-0435426.0001
Molecular formulaC24H21N3O5S2
IUPAC name4-[[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoic acid
Molecular weight495.568
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.1
SynonymsAKOS002091106
MolPort-007-917-479
4-[[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoic acid
CHEMBL1355774
SR-01000564975-1
[ Show all ]
Inchi KeyCKNCJMOHYJHECA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21N3O5S2/c1-2-32-18-9-7-17(8-10-18)25-20(28)14-34-24-26-19-11-12-33-21(19)22(29)27(24)13-15-3-5-16(6-4-15)23(30)31/h3-12H,2,13-14H2,1H3,(H,25,28)(H,30,31)
PubChem CID4362054
ChEMBLCHEMBL1355774
IUPHARN/A
BindingDB64816
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44268G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
44267G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

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