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Ligand

NameSMR000078951
Molecular formulaC21H22N2O3
IUPAC name2-[3-(furan-2-carbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
Molecular weight350.418
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.6
Synonyms2-furyl{1-[2-(2-methyl-1-piperidinyl)-2-oxoethyl]-1H-indol-3-yl}methanone
AC1MGP7Y
cid_2964527
STL505484
2-[3-(furan-2-carbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
[ Show all ]
Inchi KeyDDFKIBRAGFANTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H22N2O3/c1-15-7-4-5-11-23(15)20(24)14-22-13-17(16-8-2-3-9-18(16)22)21(25)19-10-6-12-26-19/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3
PubChem CID2964527
ChEMBLCHEMBL1581164
IUPHARN/A
BindingDB31348
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
570405-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
57039Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
57038Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
57037Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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