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Ligand

NamePropyl Fumarate
Molecular formulaC7H10O4
IUPAC name(E)-4-oxo-4-propoxybut-2-enoic acid
Molecular weight158.153
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP0.8
Synonyms2-Butenedioic acid 1-propyl ester
Fumaric acid hydrogen 1-propyl ester
AC1O5LNK
SCHEMBL322230
(E)-4-oxo-4-propoxybut-2-enoic acid
[ Show all ]
Inchi KeyAYAUWVRAUCDBFR-ONEGZZNKSA-N
Inchi IDInChI=1S/C7H10O4/c1-2-5-11-7(10)4-3-6(8)9/h3-4H,2,5H2,1H3,(H,8,9)/b4-3+
PubChem CID6436431
ChEMBLCHEMBL1771638
IUPHARN/A
BindingDB50342425
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
17281Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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