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Ligand

NameCHEMBL117069
Molecular formulaC36H38F2N4O4
IUPAC nameethyl 8-fluoro-1-[(2-fluorophenyl)methyl]-7-[4-(2-methylpropoxy)phenyl]-6-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate
Molecular weight628.721
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP6.7
Synonyms8-Fluoro-1-(2-fluoro-benzyl)-7-(4-isobutoxy-phenyl)-6-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-4-oxo-1,4-dihydro-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
1-(2-Fluorobenzyl)-4-oxo-6-[[methyl[2-(2-pyridyl)ethyl]amino]methyl]-7-(4-isobutoxyphenyl)-8-fluoro-1,4-dihydropyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester
BDBM50121188
L021954
Inchi KeyBESXPIQHJIJZFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H38F2N4O4/c1-5-45-36(44)29-21-41(20-26-10-6-7-12-30(26)37)34-33(38)32(25-13-15-28(16-14-25)46-23-24(2)3)31(42(34)35(29)43)22-40(4)19-17-27-11-8-9-18-39-27/h6-16,18,21,24H,5,17,19-20,22-23H2,1-4H3
PubChem CID9852184
ChEMBLCHEMBL117069
IUPHARN/A
BindingDB50121188
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
21878Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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