Showing entry for (1R,2S)-Phenylpropanolamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0038892
Compound Name(1R,2S)-Phenylpropanolamine
Structure
FormulaC9H13NO
InchiKeyDLNKOYKMWOXYQA-CBAPKCEASA-N
SMILESO[C@H](c1ccccc1)[C@@H](N)C
InchiInChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1
IUPAC(1R,2S)-2-amino-1-phenylpropan-1-ol
Molecular Weight151.1
Pubchem Id10297
Chembl IdCHEMBL136560
Targets of Information Source
DrugBank DB00397
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
P21728 BXGT008686 D(1A) dopamine receptor reviewed G-protein coupled receptor DRD1 approved; vet_approved; withdrawn partial agonist
P08588 BXGT006795 Beta-1 adrenergic receptor reviewed G-protein coupled receptor ADRB1 approved; vet_approved; withdrawn agonist
P07550 BXGT006636 Beta-2 adrenergic receptor reviewed G-protein coupled receptor ADRB2 approved; vet_approved; withdrawn agonist
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A approved; vet_approved; withdrawn -
P18089 BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B approved; vet_approved; withdrawn -
P18825 BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C approved; vet_approved; withdrawn -
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 n.a
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
CHEMBL CHEMBL136560
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
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 97 %
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Km '=' 1310000 nM
P28565 BXGT009273 5-hydroxytryptamine receptor 1D reviewed - Htr1d pA2 - - -
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a pA2 - - -
P35364 BXGT009819 5-hydroxytryptamine receptor 5A reviewed - Htr5a pA2 - - -
P30940 BXGT009484 5-hydroxytryptamine receptor 1F reviewed - Htr1f pA2 - - -
P14842 BXGT008059 5-hydroxytryptamine receptor 2A reviewed - Htr2a pA2 - - -
P08909 BXGT006838 5-hydroxytryptamine receptor 2C reviewed - Htr2c pA2 - - -
Q62758 BXGT016041 5-hydroxytryptamine receptor 4 reviewed - Htr4 pA2 - - -
P30994 BXGT009493 5-hydroxytryptamine receptor 2B reviewed - Htr2b pA2 - - -
P28564 BXGT009272 5-hydroxytryptamine receptor 1B reviewed - Htr1b pA2 - - -
Q9JJ16 BXGT020824 5-hydroxytryptamine receptor 3B reviewed - Htr3b pA2 - - -
P31388 BXGT009532 5-hydroxytryptamine receptor 6 reviewed - Htr6 pA2 - - -
P32305 BXGT009621 5-hydroxytryptamine receptor 7 reviewed - Htr7 pA2 - - -
P35365 BXGT009820 5-hydroxytryptamine receptor 5B reviewed - Htr5b pA2 - - -
P35563 BXGT009849 5-hydroxytryptamine receptor 3A reviewed - Htr3a pA2 - - -
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d Ki '=' 8400 nM
P18841 BXGT008428 Alpha-1B adrenergic receptor reviewed - ADRA1B Ki '=' 9600 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 87 %
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Selectivity '=' 1 -
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Selectivity '=' 1 -
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A EC50 '=' 230000 nM
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d EC50 '=' 58000 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b EC50 '=' 280000 nM
P25100 BXGT009017 Alpha-1D adrenergic receptor reviewed G-protein coupled receptor ADRA1D Selectivity '=' 0 -
P35348 BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A Selectivity '=' 0 -
P35368 BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B Selectivity '=' 1 -
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki '=' 9800 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00183 Common thyme Thymus vulgaris Herbs and Spices
BXGF01506 Thymus quinquecostatus Thymus quinquecostatus Medicinal Plant
BXGF02425 Ephedra herba Ephedra herba Others
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF03282 Ephedra intermedia Ephedra intermedia Medicinal Plant
BXGF03667 Ephedra distachya Ephedra distachya Medicinal Plant
BXGF04564 Ephedra equisetina Ephedra equisetina Medicinal Plant
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