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Ligand

NameCHEMBL94694
Molecular formulaC24H29O5-
IUPAC name4-[(1R,2R,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
Molecular weight397.491
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50095202
4-[2-Hydroxy-3-((E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl)-3,3a,8,8a-tetrahydro-2H-indeno[2,1-b]furan-7-yl]-butyric acid
Inchi KeyCTPOHARTNNSRSR-ZVZUMIMDSA-M
Inchi IDInChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/p-1/b13-12+/t15?,17-,19+,20+,21?,23-/m0/s1
PubChem CID91931470
ChEMBLN/A
IUPHARN/A
BindingDB50095202
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
50306Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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