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Ligand

Nameacebutolol
Molecular formulaC18H28N2O4
IUPAC nameN-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
Molecular weight336.432
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.7
Synonyms(.+/-.)-3'-Acetyl-4'-[2-hydroxy-3-(isopropylamino)propoxy]butyranilide
LS-45389
3'-(Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
N-(3-acetyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butanamide
AB00053574_13
[ Show all ]
Inchi KeyGOEMGAFJFRBGGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
PubChem CID1978
ChEMBLCHEMBL642
IUPHARN/A
BindingDB25755
DrugBankDB01193

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1011365-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
101134Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
101137Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
101135Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
460121Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
101133Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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