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Ligand

Namealprenolol
Molecular formulaC15H23NO2
IUPAC name1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular weight249.354
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.1
SynonymsNCGC00089741-02
AB00053431_14
Prestwick2_000250
Alpheprol
Spectrum3_001066
[ Show all ]
Inchi KeyPAZJSJFMUHDSTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
PubChem CID2119
ChEMBLCHEMBL266195
IUPHAR563
BindingDB25764
DrugBankDB00866

Structure

SDF download

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

Known GPCRs

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Total entries: 14
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GLASS IDNameUniProtGeneSpeciesLength
2553635-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2553665-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2553625-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2553645-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5564565-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
556454Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
255358Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
255359Beta-1 adrenergic receptorP18090Adrb1Rattus norvegicus (Rat)466
255357Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
255365Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
255367Beta-2 adrenergic receptorP10608Adrb2Rattus norvegicus (Rat)418
255360Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
255361D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
556455D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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