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Ligand

NameCHEMBL550619
Molecular formulaC22H29NO4S
IUPAC name2-[4-[2-[(4-butylphenyl)methyl-methylsulfonylamino]ethyl]phenyl]acetic acid
Molecular weight403.537
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50293507
SCHEMBL5726660
2-(4-(2-(N-(4-butylbenzyl)methylsulfonamido)ethyl)phenyl)acetic acid
VMVSNMAPWLXDTK-UHFFFAOYSA-N
(4-{2-[(4-butyl-benzyl)-methanesulfonyl-amino]-ethyl}-phenyl)-acetic acid
Inchi KeyVMVSNMAPWLXDTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29NO4S/c1-3-4-5-18-8-12-21(13-9-18)17-23(28(2,26)27)15-14-19-6-10-20(11-7-19)16-22(24)25/h6-13H,3-5,14-17H2,1-2H3,(H,24,25)
PubChem CID22246765
ChEMBLCHEMBL550619
IUPHARN/A
BindingDB50293507
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
358967Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
358966Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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