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Ligand

NameCHEMBL550034
Molecular formulaC22H33N7O4
IUPAC name2-[2-[[1-[(4-methoxycyclohexyl)methyl]-5-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
Molecular weight459.551
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.6
Synonyms1-(2-(5-(4-methoxybenzyl)-1-((4-methoxycyclohexyl)methyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
BDBM50294600
Inchi KeyGFRDFKBKSOOVGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H33N7O4/c1-32-17-7-3-15(4-8-17)13-28-20(26-12-11-25-19(23)24)27-21(30)29(22(28)31)14-16-5-9-18(33-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H4,23,24,25)(H,26,27,30)
PubChem CID45270642
ChEMBLCHEMBL550034
IUPHARN/A
BindingDB50294600
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
95313Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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