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Ligand

NameCHEMBL3342874
Molecular formulaC26H34N4O4
IUPAC name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-phenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
Molecular weight466.582
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50099473
Inchi KeyFNKLENUNYYYGFY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N4O4/c1-32-24-10-6-5-9-23(24)29-17-15-28(16-18-29)19-22-20-33-26(34-22)11-13-30(14-12-26)25(31)27-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,27,31)
PubChem CID118716721
ChEMBLCHEMBL3342874
IUPHARN/A
BindingDB50099473
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4449905-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
444989Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
444994Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
444991Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
444992Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
444993Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
444995Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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