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Ligand

NameSCHEMBL2190873
Molecular formulaC28H37NO4S
IUPAC name(Z)-7-[(1R,4S,5R)-5-[(E)-4-(1-benzothiophen-2-yl)-3-hydroxybut-1-enyl]-4-hydroxy-3,3-dimethyl-2-oxocyclopentyl]-N-ethylhept-5-enamide
Molecular weight483.667
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.2
SynonymsCHEMBL3937653
BDBM184632
US9156810, 60
Inchi KeyBSXYVWRTPMIXJN-YNYDDOMNSA-N
Inchi IDInChI=1S/C28H37NO4S/c1-4-29-25(31)14-8-6-5-7-12-22-23(27(33)28(2,3)26(22)32)16-15-20(30)18-21-17-19-11-9-10-13-24(19)34-21/h5,7,9-11,13,15-17,20,22-23,27,30,33H,4,6,8,12,14,18H2,1-3H3,(H,29,31)/b7-5-,16-15+/t20?,22-,23-,27+/m1/s1
PubChem CID10435419
ChEMBLCHEMBL3937653
IUPHARN/A
BindingDB184632
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
459502Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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