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Ligand

NameCHEMBL1800667
Molecular formulaC33H34F2N6O6S2
IUPAC name1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[methyl-[2-[methyl(methylsulfonyl)amino]ethyl]amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Molecular weight712.788
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50347993
Inchi KeyAUWKQEMLKLOMEF-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H34F2N6O6S2/c1-38(17-18-39(2)49(4,45)46)19-25-28-30(42)41(23-9-6-5-7-10-23)33(44)40(20-24-26(34)11-8-12-27(24)35)31(28)48-29(25)21-13-15-22(16-14-21)36-32(43)37-47-3/h5-16H,17-20H2,1-4H3,(H2,36,37,43)
PubChem CID53389118
ChEMBLCHEMBL1800667
IUPHARN/A
BindingDB50347993
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15030Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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