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Ligand

NameCHEMBL138520
Molecular formulaC22H31FO5
IUPAC name7-[(1R,2S,3R,5R)-5-fluoro-3-hydroxy-2-[(3S,4S)-3-hydroxy-4-methylnona-1,6-diynyl]cyclopentyl]-6-oxoheptanoic acid
Molecular weight394.483
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.2
SynonymsN/A
Inchi KeyBDSTUZJHCASZCJ-SZOCEBHJSA-N
Inchi IDInChI=1S/C22H31FO5/c1-3-4-5-8-15(2)20(25)12-11-17-18(19(23)14-21(17)26)13-16(24)9-6-7-10-22(27)28/h15,17-21,25-26H,3,6-10,13-14H2,1-2H3,(H,27,28)/t15-,17+,18+,19+,20+,21+/m0/s1
PubChem CID15024625
ChEMBLCHEMBL138520
IUPHARN/A
BindingDBN/A
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
21214Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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