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Ligand

NameCHEMBL138681
Molecular formulaC34H53N7O3
IUPAC nameN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methyl-4-[[methyl-[6-(methylamino)hexyl]amino]methyl]benzamide
Molecular weight607.844
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM50408676
N-Methyl-N-[6-[methyl(4-amino-6,7-dimethoxyquinazoline-2-yl)amino]hexyl]-4-[[methyl[6-(methylamino)hexyl]amino]methyl]benzamide
Inchi KeyDEJRQWNKBLUKLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H53N7O3/c1-36-19-11-7-8-12-20-39(2)25-26-15-17-27(18-16-26)33(42)40(3)21-13-9-10-14-22-41(4)34-37-29-24-31(44-6)30(43-5)23-28(29)32(35)38-34/h15-18,23-24,36H,7-14,19-22,25H2,1-6H3,(H2,35,37,38)
PubChem CID10651334
ChEMBLCHEMBL138681
IUPHARN/A
BindingDB50408676
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
57824Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
57826Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
57825Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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