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Ligand

NameCHEMBL3910551
Molecular formulaC22H15F3N2O3
IUPAC name2-[3-[[3-cyano-5-(3-fluorophenyl)phenyl]methylamino]-2,4-difluorophenoxy]acetic acid
Molecular weight412.368
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.6
SynonymsBMYPINGCOBKLIH-UHFFFAOYSA-N
SCHEMBL14783775
US9249085, I(x)
BDBM204964
2-[3-[[3-Cyano-5-(3-fluorophenyl)phenyl]methylamino]-2,4-difluoro-phenoxy]acetic acid
Inchi KeyBMYPINGCOBKLIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H15F3N2O3/c23-17-3-1-2-15(9-17)16-7-13(10-26)6-14(8-16)11-27-22-18(24)4-5-19(21(22)25)30-12-20(28)29/h1-9,27H,11-12H2,(H,28,29)
PubChem CID89443595
ChEMBLCHEMBL3910551
IUPHARN/A
BindingDB204964
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
517460Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358

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