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Ligand

NameCHEMBL1800663
Molecular formulaC36H32F2N6O4S
IUPAC name1-[4-[1-[(2,6-difluorophenyl)methyl]-5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Molecular weight682.747
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50347996
SCHEMBL779729
Inchi KeyAAAOTGDHZDZLFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H32F2N6O4S/c1-42(20-18-24-9-6-7-19-39-24)21-28-31-33(45)44(26-10-4-3-5-11-26)36(47)43(22-27-29(37)12-8-13-30(27)38)34(31)49-32(28)23-14-16-25(17-15-23)40-35(46)41-48-2/h3-17,19H,18,20-22H2,1-2H3,(H2,40,41,46)
PubChem CID53388960
ChEMBLCHEMBL1800663
IUPHARN/A
BindingDB50347996
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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