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Ligand

NameCHEMBL138317
Molecular formulaC27H37IO4
IUPAC name(5E)-5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-6a-(5-iodopent-1-ynyl)-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoic acid
Molecular weight552.493
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.2
SynonymsN/A
Inchi KeyDJIYXYQVQHFZSA-RDSSFFCKSA-N
Inchi IDInChI=1S/C27H37IO4/c1-3-4-10-20(2)24(29)14-13-22-23-17-21(11-6-7-12-26(31)32)18-27(23,19-25(22)30)15-8-5-9-16-28/h11,13-14,20,22-25,29-30H,5-7,9-10,12,16-19H2,1-2H3,(H,31,32)/b14-13+,21-11+/t20?,22-,23-,24-,25-,27+/m1/s1
PubChem CID15031387
ChEMBLCHEMBL138317
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
61484Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386

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