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Ligand

NameCHEMBL415279
Molecular formulaC50H50F2N8O6
IUPAC nameethyl 3-[[benzyl-[2-oxo-2-[4-(3-phenylprop-2-ynylcarbamoyl)piperidin-1-yl]ethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate
Molecular weight896.997
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP5.9
SynonymsBDBM50376888
Inchi KeyBJZYOOMSBNWZAU-UHFFFAOYSA-N
Inchi IDInChI=1S/C50H50F2N8O6/c1-3-53-49(65)55-38-22-20-36(21-23-38)45-43(60-47(63)40(48(64)66-4-2)31-59(50(60)56-45)30-39-41(51)18-11-19-42(39)52)32-57(29-35-15-9-6-10-16-35)33-44(61)58-27-24-37(25-28-58)46(62)54-26-12-17-34-13-7-5-8-14-34/h5-11,13-16,18-23,31,37H,3-4,24-30,32-33H2,1-2H3,(H,54,62)(H2,53,55,65)
PubChem CID25113693
ChEMBLCHEMBL415279
IUPHARN/A
BindingDB50376888
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25599Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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