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Ligand

NameT 98475
Molecular formulaC37H37F2N3O4S
IUPAC namepropan-2-yl 3-[[benzyl(methyl)amino]methyl]-7-[(2,6-difluorophenyl)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[2,3-b]pyridine-5-carboxylate
Molecular weight657.777
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP7.5
Synonyms3-[(Benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-2-(4-isobutyrylamino-phenyl)-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylic acid isopropyl ester; hydrochloride
HMS3269M21
propan-2-yl 7-[(2,6-difluorophenyl)methyl]-3-[(methyl-(phenylmethyl)amino)methyl]-2-[4-(2-methylpropanoylamino)phenyl]-4-oxothieno[3,2-e]pyridine-5-carboxylate
ZINC4424097
AKOS024457145
[ Show all ]
Inchi KeyRANJJVIMTOIWIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H37F2N3O4S/c1-22(2)35(44)40-26-16-14-25(15-17-26)34-28(19-41(5)18-24-10-7-6-8-11-24)32-33(43)29(37(45)46-23(3)4)21-42(36(32)47-34)20-27-30(38)12-9-13-31(27)39/h6-17,21-23H,18-20H2,1-5H3,(H,40,44)
PubChem CID9874838
ChEMBLCHEMBL71917
IUPHAR1184
BindingDB50067485
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
291368Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
291369Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
291370Gonadotropin-releasing hormone receptorQ8SPZ1GNRHRMacaca mulatta (Rhesus macaque)59

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