Showing entry for Alprenolol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0018063
Compound NameAlprenolol
Structure
FormulaC15H23NO2
InchiKeyPAZJSJFMUHDSTF-UHFFFAOYSA-N
SMILESC=CCc1ccccc1OCC(CNC(C)C)O
InchiInChI=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
IUPAC1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Molecular Weight249.17
Pubchem Id2119
Chembl IdCHEMBL266195
Targets of Information Source
DrugBank DB00866
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 experimental; withdrawn antagonist
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 experimental; withdrawn antagonist
P08908 BXGT006837 5-hydroxytryptamine receptor 1A reviewed G-protein coupled receptor HTR1A experimental; withdrawn antagonist
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 experimental; withdrawn antagonist
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 25764
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 - - 15 -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 - - 0.91 -
reviewed BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 - - 117 -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 170 - - -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 2.3 - - -
reviewed BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 4700 - - -
reviewed BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 380 - - -
reviewed BXGT009272 5-hydroxytryptamine receptor 1B reviewed Htr1b 70.79 - - -
reviewed BXGT008380 Beta-1 adrenergic receptor reviewed Adrb1 4.17 - - -
reviewed BXGT007586 Beta-2 adrenergic receptor reviewed Adrb2 0.58 - - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 >10000 - - -
reviewed BXGT011367 D(2) dopamine receptor reviewed Drd2 6860 - - -
reviewed BXGT009272 5-hydroxytryptamine receptor 1B reviewed Htr1b 100 - - -
reviewed BXGT008059 5-hydroxytryptamine receptor 2A reviewed Htr2a 5011.87 - - -
reviewed BXGT009849 5-hydroxytryptamine receptor 3A reviewed Htr3a 1000 - - -
reviewed BXGT008380 Beta-1 adrenergic receptor reviewed Adrb1 1.1 - - -
reviewed BXGT007586 Beta-2 adrenergic receptor reviewed Adrb2 0.5 - - -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 1.2 - - -
reviewed BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 35 - - -
reviewed BXGT012668 Squalene synthase reviewed Fdft1 - 4200 - -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 - - 0.295121 -
reviewed BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 - - 4.3 -
reviewed BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 - - 0.501187 -
reviewed BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 - - 178 -
reviewed BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 - - 138 -
reviewed BXGT010867 Cytochrome P450 2J2 reviewed CYP2J2 - >50000 - -
reviewed BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 - 2.3 - -
reviewed BXGT008380 Beta-1 adrenergic receptor reviewed Adrb1 - - 1.7 -
reviewed BXGT008380 Beta-1 adrenergic receptor reviewed Adrb1 - - 1.5 -
reviewed BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 - 4.9 - -
reviewed BXGT013944 Beta-2 adrenergic receptor reviewed ADRB2 - 3 - -
reviewed BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 - - 76 -
reviewed BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 - - 11 -
CHEMBL CHEMBL266195
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Selectivity - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Activity '=' 52 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 89 %
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Activity '=' 46 %
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
P26255 BXGT009093 Beta-3 adrenergic receptor reviewed - Adrb3 Kd '=' 1 -
P10608 BXGT007586 Beta-2 adrenergic receptor reviewed - Adrb2 Kd '=' 1 -
P18090 BXGT008380 Beta-1 adrenergic receptor reviewed - Adrb1 Kd '=' 1 -
O15439 BXGT004169 Multidrug resistance-associated protein 4 reviewed Transporter ABCC4 IC50 '=' 133000 nM
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '=' 133000 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Ka '=' 8 10'5/M/s
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 ISA - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 ISA - - -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 ISA - - -
Q02769 BXGT012668 Squalene synthase reviewed - Fdft1 IC50 '=' 4200 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Ki '=' 117 nM
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 Potency - 651 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Kd '=' 0 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 8912 nM
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 Activity '=' 0 -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Activity '=' 0 -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Activity '=' 0 -
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Log B/F '=' 0 -
Q28044 BXGT013944 Beta-2 adrenergic receptor reviewed - ADRB2 Ratio '=' 0 -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 15848 nM
P15289 BXGT008102 Arylsulfatase A reviewed Enzyme ARSA Potency - 5 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Ki '=' 1 nM
O60551 BXGT004882 Glycylpeptide N-tetradecanoyltransferase 2 reviewed Enzyme NMT2 IC50 - - -
P30419 BXGT009426 Glycylpeptide N-tetradecanoyltransferase 1 reviewed Enzyme NMT1 IC50 - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 #NAME? '=' 12 -
P26255 BXGT009093 Beta-3 adrenergic receptor reviewed - Adrb3 Binding '=' 0 %
P10608 BXGT007586 Beta-2 adrenergic receptor reviewed - Adrb2 Binding '=' 0 %
P18090 BXGT008380 Beta-1 adrenergic receptor reviewed - Adrb1 Binding '=' 0 %
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Log K' '=' 0 -
Q28044 BXGT013944 Beta-2 adrenergic receptor reviewed - ADRB2 IC50 '=' 2 nM
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Selectivity - - -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 #NAME? '=' 9 -
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Alpha max '=' 0 -
P18090 BXGT008380 Beta-1 adrenergic receptor reviewed - Adrb1 Kapp '=' 0 uM
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 Kd '=' 75 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 25574 nM
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 Activity '=' 62 %
P26255 BXGT009093 Beta-3 adrenergic receptor reviewed - Adrb3 Binding '=' 6 %
P10608 BXGT007586 Beta-2 adrenergic receptor reviewed - Adrb2 Binding '=' 6 %
P18090 BXGT008380 Beta-1 adrenergic receptor reviewed - Adrb1 Binding '=' 6 %
O95342 BXGT005373 Bile salt export pump reviewed Transporter ABCB11 IC50 '>' 135000 nM
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 IC50 '=' 4 nM
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Kd '=' 177 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 33587 nM
P51589 BXGT010867 Cytochrome P450 2J2 reviewed - CYP2J2 IC50 '>' 50000 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Kd '=' 0 nM
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Kd '=' 11 nM
P10608 BXGT007586 Beta-2 adrenergic receptor reviewed - Adrb2 Kapp '=' 0 uM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition '=' 5 %
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 IC50 '=' 2 nM
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 IC50 '=' 2 nM
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 IC50 '=' 2 nM
P26255 BXGT009093 Beta-3 adrenergic receptor reviewed - Adrb3 Kd '=' 1 -
P10608 BXGT007586 Beta-2 adrenergic receptor reviewed - Adrb2 Kd '=' 1 -
P18090 BXGT008380 Beta-1 adrenergic receptor reviewed - Adrb1 Kd '=' 1 -
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 Kd '=' 0 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 31622 nM
Q28044 BXGT013944 Beta-2 adrenergic receptor reviewed - ADRB2 #NAME? '=' 13 -
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 Kd '=' 4 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 120 %
Q92887 BXGT019389 Canalicular multispecific organic anion transporter 1 reviewed Transporter ABCC2 IC50 '=' 133000 nM
O15438 BXGT004168 Canalicular multispecific organic anion transporter 2 reviewed Transporter ABCC3 IC50 '=' 133000 nM
P13945 BXGT007972 Beta-3 adrenergic receptor reviewed G-protein coupled receptor ADRB3 Kd '=' 138 nM
P12931 BXGT007859 Proto-oncogene tyrosine-protein kinase Src reviewed Kinase SRC K '=' 1 10'7/s/microM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00139 Pepper (Spice) Piper nigrum Herbs and Spices
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease