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Ligand

NameCHEMBL494566
Molecular formulaC18H21NO4
IUPAC namemethyl 3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-carboxylate
Molecular weight315.369
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsN-(2-(5-Methoxycarbonyl-benzo[b]furan-3-yl)ethyl)-cyclopentylcarboxamide
SCHEMBL5336186
BDBM50260398
methyl 3-(2-(cyclopentanecarboxamido)ethyl)benzofuran-5-carboxylate
Inchi KeyCUUQICZMRYXTLF-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21NO4/c1-22-18(21)13-6-7-16-15(10-13)14(11-23-16)8-9-19-17(20)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)
PubChem CID9861677
ChEMBLCHEMBL494566
IUPHARN/A
BindingDB50260398
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
51138Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
51139Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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