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Ligand

NameCHEMBL50278
Molecular formulaC27H36N2O5
IUPAC name(3S)-1-hexyl-4-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazine-2,5-dione
Molecular weight468.594
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50142668
SCHEMBL6140939
(S)-1-Hexyl-4-methyl-3-(3'',4'',5''-trimethoxy-biphenyl-4-ylmethyl)-piperazine-2,5-dione
Inchi KeyOKGFFIQFMRJYDD-QFIPXVFZSA-N
Inchi IDInChI=1S/C27H36N2O5/c1-6-7-8-9-14-29-18-25(30)28(2)22(27(29)31)15-19-10-12-20(13-11-19)21-16-23(32-3)26(34-5)24(17-21)33-4/h10-13,16-17,22H,6-9,14-15,18H2,1-5H3/t22-/m0/s1
PubChem CID44292995
ChEMBLCHEMBL50278
IUPHARN/A
BindingDB50142668
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
243490Follicle-stimulating hormone receptorP23945FSHRHomo sapiens (Human)695

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