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Ligand

NameCHEMBL3403625
Molecular formulaC22H17F3N2O5
IUPAC name2-[8-[[3-cyano-5-(trifluoromethoxy)phenyl]methoxy]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indol-1-yl]acetic acid
Molecular weight446.382
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL948995
BDBM50063889
Inchi KeyAATFDQYTMDDOJM-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H17F3N2O5/c23-22(24,25)32-17-6-13(11-26)5-14(7-17)12-31-16-1-2-18-15(8-16)9-19-20(10-21(28)29)30-4-3-27(18)19/h1-2,5-9,20H,3-4,10,12H2,(H,28,29)
PubChem CID49873196
ChEMBLCHEMBL3403625
IUPHARN/A
BindingDB50063889
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
441689Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382

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