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Ligand

NameCHEMBL562825
Molecular formulaC22H29NO5S
IUPAC name3-[3-[(4-butylphenyl)methyl-methylsulfonylamino]propoxy]benzoic acid
Molecular weight419.536
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50293506
3-(3-(N-(4-butylbenzyl)methylsulfonamido)propoxy)benzoic acid
Inchi KeySCRPHQKECRGPDJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29NO5S/c1-3-4-7-18-10-12-19(13-11-18)17-23(29(2,26)27)14-6-15-28-21-9-5-8-20(16-21)22(24)25/h5,8-13,16H,3-4,6-7,14-15,17H2,1-2H3,(H,24,25)
PubChem CID45269575
ChEMBLCHEMBL562825
IUPHARN/A
BindingDB50293506
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
311052Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
311053Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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