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Ligand

NameSufugolix
Molecular formulaC36H31F2N5O4S
IUPAC name1-[4-[5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Molecular weight667.732
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.1
SynonymsTAK 013
1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[(methyl-(phenylmethyl)amino)methyl]-2,4-dioxo-3-phenylthieno[4,5-e]pyrimidin-6-yl]phenyl]-3-methoxyurea
5-(N-benzyl-N-methylaminomethyl)-l-(2,6-difluorobenzyl)-6-[4-(3-methoxyureido)phenyl]-3-phenylthieno[2,3-d]pyrimidine-2,4(1H, 3H)-dione
L001648
UNII-56S17Z6X9M
[ Show all ]
Inchi KeyUCQSBGOFELXYIN-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
PubChem CID3038517
ChEMBLCHEMBL22055
IUPHAR1185
BindingDB50122654
DrugBankDB06494

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
333636Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
333637Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328
333638Gonadotropin-releasing hormone receptorQ8SPZ1GNRHRMacaca mulatta (Rhesus macaque)59

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