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Ligand

NameCHEMBL312169
Molecular formulaC21H26FN3O3S
IUPAC name1-[4-[[(9-fluoro-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl)amino]methyl]piperidin-1-yl]-3-methoxypropan-1-one
Molecular weight419.515
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50145290
1-{4-[(9-Fluoro-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulen-2-ylamino)-methyl]-piperidin-1-yl}-3-methoxy-propan-1-one
Inchi KeyBFUXHQZRBIKVED-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26FN3O3S/c1-27-10-7-19(26)25-8-4-14(5-9-25)13-23-21-24-20-16-12-15(22)2-3-17(16)28-11-6-18(20)29-21/h2-3,12,14H,4-11,13H2,1H3,(H,23,24)
PubChem CID44460712
ChEMBLCHEMBL312169
IUPHARN/A
BindingDB50145290
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
22652Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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