Showing entry for Phenylpropanolamine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0021210
Compound NamePhenylpropanolamine
Structure
FormulaC9H13NO
InchiKeyDLNKOYKMWOXYQA-UHFFFAOYSA-N
SMILESOC(c1ccccc1)C(N)C
InchiInChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3
IUPAC2-amino-1-phenylpropan-1-ol
Molecular Weight151.1
Pubchem Id4786
Chembl IdCHEMBL61006
Targets of Information Source
DrugBank n.a
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
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 50022722
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 BXGT009777 5-hydroxytryptamine receptor 7 reviewed G-protein coupled receptor HTR7 7000 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 3024 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 1330 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 2608 - - -
reviewed BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A 2598 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B 3940 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B 400 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B 2301 - - -
reviewed BXGT008379 Alpha-2B adrenergic receptor reviewed G-protein coupled receptor ADRA2B 3489 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C 597 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C 265 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C 1547 - - -
reviewed BXGT008426 Alpha-2C adrenergic receptor reviewed G-protein coupled receptor ADRA2C 2804 - - -
reviewed BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 1371 - - -
reviewed BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 302 - - -
reviewed BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 68.3 - - -
reviewed BXGT012624 Sodium-dependent dopamine transporter reviewed Transporter SLC6A3 294 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 137 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 42.1 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 15 - - -
reviewed BXGT008935 Sodium-dependent noradrenaline transporter reviewed Transporter SLC6A2 30.1 - - -
reviewed BXGT009822 Alpha-1B adrenergic receptor reviewed G-protein coupled receptor ADRA1B 9600 - - -
reviewed BXGT009814 Alpha-1A adrenergic receptor reviewed G-protein coupled receptor ADRA1A - - - 230000
reviewed BXGT008930 Alpha-1D adrenergic receptor reviewed Adra1d - - - 58000
reviewed BXGT008930 Alpha-1D adrenergic receptor reviewed Adra1d 8400 - - -
reviewed BXGT008160 Alpha-1B adrenergic receptor reviewed Adra1b - - - 280000
reviewed BXGT010360 Alpha-1A adrenergic receptor reviewed Adra1a 9800 - - -
CHEMBL CHEMBL61006
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
P18841 BXGT008428 Alpha-1B adrenergic receptor reviewed - ADRA1B Ki '=' 9549 nM
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Selectivity '=' 1 -
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d Selectivity '=' 1 -
O02824 BXGT003959 Alpha-1A adrenergic receptor reviewed - ADRA1A Efficacy '=' 68 %
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d pD2 '=' 4 -
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Efficacy '=' 85 %
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b pD2 '=' 3 -
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Selectivity '=' 1 -
P08913 BXGT006841 Alpha-2A adrenergic receptor reviewed G-protein coupled receptor ADRA2A Ki '=' 275 nM
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d Ki '=' 8511 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b EC50 '=' 281838 nM
O02824 BXGT003959 Alpha-1A adrenergic receptor reviewed - ADRA1A EC50 '=' 234422 nM
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki '=' 9772 nM
O02824 BXGT003959 Alpha-1A adrenergic receptor reviewed - ADRA1A pD2 '=' 3 -
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Efficacy '=' 34 %
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a pD2 '=' 5 -
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 263 nM
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d Efficacy '=' 91 %
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d EC50 '=' 75857 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
BXGF02635 Ephedra sinica Ephedra sinica Medicinal Plant
BXGF03282 Ephedra intermedia Ephedra intermedia 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