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Ligand

NameCHEMBL260672
Molecular formulaC20H13Cl2FN2O5
IUPAC name2-[(3R)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
Molecular weight451.231
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.4
SynonymsSpiro-indolinone analogue, (R)-71
ZINC14976697
BDBM21610
SCHEMBL2483474
2-[(3R)-5-chloro-1''-[(5-chloro-2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,2'',5''-trione]acetic acid
Inchi KeyIXKFWNVFUXXEFY-HXUWFJFHSA-N
Inchi IDInChI=1S/C20H13Cl2FN2O5/c21-11-1-3-14(23)10(5-11)8-25-16(26)7-20(19(25)30)13-6-12(22)2-4-15(13)24(18(20)29)9-17(27)28/h1-6H,7-9H2,(H,27,28)/t20-/m1/s1
PubChem CID24776306
ChEMBLCHEMBL260672
IUPHARN/A
BindingDB21610
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
144068Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
144067Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
144069Prostaglandin D2 receptor 2Q9Z2J6Ptgdr2Mus musculus (Mouse)382
144066Prostaglandin E2 receptor EP2 subtypeP43116PTGER2Homo sapiens (Human)358

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