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Ligand

NameSCHEMBL17767032
Molecular formulaC18H14F4N4O3
IUPAC nameN-[(1S)-1-[2-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
Molecular weight410.329
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.1
SynonymsUS9556130, test 70
BDBM263502
(s)-n-(1-(2-fluoro-4-(trifluoromethoxy)phenyl)ethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4h)-yl)acetamide
Inchi KeyGSGHPTZMPYTVQJ-JTQLQIEISA-N
Inchi IDInChI=1S/C18H14F4N4O3/c1-10(12-7-6-11(8-14(12)19)29-18(20,21)22)23-16(27)9-26-17(28)13-4-2-3-5-15(13)24-25-26/h2-8,10H,9H2,1H3,(H,23,27)/t10-/m0/s1
PubChem CID121349639
ChEMBLN/A
IUPHARN/A
BindingDB263502
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
560533Probable G-protein coupled receptor 139Q6DWJ6GPR139Homo sapiens (Human)353

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