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Ligand

NameCHEMBL425950
Molecular formulaC24H31NO4S
IUPAC name5-[3-[(2S)-2-[4-(4-ethylphenyl)-3-hydroxybutyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid
Molecular weight429.575
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50181280
SCHEMBL4996181
5-(3-((S)-2-(4-(4-ethylphenyl)-3-hydroxybutyl)-5-oxopyrrolidin-1-yl)propyl)thiophene-2-carboxylic acid
Inchi KeyHGNFVFHSIKQWQB-XJDOXCRVSA-N
Inchi IDInChI=1S/C24H31NO4S/c1-2-17-5-7-18(8-6-17)16-20(26)11-9-19-10-14-23(27)25(19)15-3-4-21-12-13-22(30-21)24(28)29/h5-8,12-13,19-20,26H,2-4,9-11,14-16H2,1H3,(H,28,29)/t19-,20?/m0/s1
PubChem CID44409693
ChEMBLCHEMBL425950
IUPHARN/A
BindingDB50181280
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
114286Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
114285Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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