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Ligand

NameCHEMBL30727
Molecular formulaC25H32N2O6
IUPAC name3-[2-[[3-[4-(5-hydroxypentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid
Molecular weight456.539
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.6
SynonymsBDBM50047265
3-(2-{3-[4-(5-Hydroxy-pentylcarbamoyl)-oxazol-2-yl]-7-oxa-bicyclo[2.2.1]hept-2-ylmethyl}-phenyl)-propionic acid
Inchi KeyAPMBRCHHELJNLE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32N2O6/c28-13-5-1-4-12-26-24(31)19-15-32-25(27-19)23-18(20-9-10-21(23)33-20)14-17-7-3-2-6-16(17)8-11-22(29)30/h2-3,6-7,15,18,20-21,23,28H,1,4-5,8-14H2,(H,26,31)(H,29,30)
PubChem CID44279913
ChEMBLCHEMBL30727
IUPHARN/A
BindingDB50047265
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
11121Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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