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Ligand

NameCHEMBL260013
Molecular formulaC20H15Cl2FN2O4
IUPAC name2-[(3S)-5-chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2'-dioxospiro[indole-3,4'-pyrrolidine]-1-yl]acetic acid
Molecular weight437.248
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM21611
Spiro-indolinone analogue, (S)-90
2-[(3S)-5-chloro-1''-[(5-chloro-2-fluorophenyl)methyl]-1,2-dihydrospiro[indole-3,3''-pyrrolidine]-2,5''-dione]acetic acid
Inchi KeyABVCZPJCOYQLBK-HXUWFJFHSA-N
Inchi IDInChI=1S/C20H15Cl2FN2O4/c21-12-1-3-15(23)11(5-12)8-24-10-20(7-17(24)26)14-6-13(22)2-4-16(14)25(19(20)29)9-18(27)28/h1-6H,7-10H2,(H,27,28)/t20-/m1/s1
PubChem CID24776307
ChEMBLCHEMBL260013
IUPHARN/A
BindingDB21611
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1211Prostaglandin D2 receptor 2Q9Z2J6Ptgdr2Mus musculus (Mouse)382
1212Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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