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Ligand

NameCHEMBL553468
Molecular formulaC19H31NO4S
IUPAC name7-[(4-tert-butylphenyl)methyl-methylsulfonylamino]heptanoic acid
Molecular weight369.52
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
Synonyms7-(N-(4-tert-butylbenzyl)methylsulfonamido)heptanoic acid
BDBM50293504
SCHEMBL12749296
Inchi KeyBWVXTDRTJMUKCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H31NO4S/c1-19(2,3)17-12-10-16(11-13-17)15-20(25(4,23)24)14-8-6-5-7-9-18(21)22/h10-13H,5-9,14-15H2,1-4H3,(H,21,22)
PubChem CID16048029
ChEMBLCHEMBL553468
IUPHARN/A
BindingDB50293504
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
34771Prostaglandin E2 receptor EP2 subtypeQ62928Ptger2Rattus norvegicus (Rat)357
34772Prostaglandin E2 receptor EP4 subtypeP43114Ptger4Rattus norvegicus (Rat)488

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