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Ligand

NameCHEMBL139057
Molecular formulaC29H39N3O4
IUPAC nameN-[2-(1,3-benzodioxol-4-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
Molecular weight493.648
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50094150
N-(2-Benzo[1,3]dioxol-4-yl-2-[1,4'']bipiperidinyl-1''-yl-ethyl)-2-(2-methoxy-phenyl)-N-methyl-acetamide
Inchi KeyAPNBVGOWKCRABK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H39N3O4/c1-30(28(33)19-22-9-4-5-11-26(22)34-2)20-25(24-10-8-12-27-29(24)36-21-35-27)32-17-13-23(14-18-32)31-15-6-3-7-16-31/h4-5,8-12,23,25H,3,6-7,13-21H2,1-2H3
PubChem CID44358710
ChEMBLCHEMBL139057
IUPHARN/A
BindingDB50094150
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
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GLASS IDNameUniProtGeneSpeciesLength
11141Substance-P receptorP25103TACR1Homo sapiens (Human)407

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