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Ligand

NameCHEMBL585711
Molecular formulaC22H26FN5OS2
IUPAC name6-[[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-N-[(6-methylpyridin-2-yl)methyl]-4-morpholin-4-ylpyridin-2-amine
Molecular weight459.602
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.8
SynonymsBDBM50301192
6-((4-(fluoromethyl)-5-methylthiazol-2-ylthio)methyl)-N-((6-methylpyridin-2-yl)methyl)-4-morpholinopyridin-2-amine
BHHGCAUKPABREW-UHFFFAOYSA-N
SCHEMBL113377
6-({[4-(fluoromethyl)-5-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-N-[(6-methylpyridin-2-yl)methyl]-4-(morpholin-4-yl)pyridin-2-amine
Inchi KeyBHHGCAUKPABREW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26FN5OS2/c1-15-4-3-5-17(25-15)13-24-21-11-19(28-6-8-29-9-7-28)10-18(26-21)14-30-22-27-20(12-23)16(2)31-22/h3-5,10-11H,6-9,12-14H2,1-2H3,(H,24,26)
PubChem CID45487447
ChEMBLCHEMBL585711
IUPHARN/A
BindingDB50301192
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23746Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
23748Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
23747Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
23749Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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