Showing entry for 1,2,3,4-Tetrahydroisoquinoline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0034371
Compound Name1,2,3,4-Tetrahydroisoquinoline
Structure
FormulaC9H11N
InchiKeyUWYZHKAOTLEWKK-UHFFFAOYSA-N
SMILESN1CCc2c(C1)cccc2
InchiInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
IUPAC1,2,3,4-tetrahydroisoquinoline
Molecular Weight133.09
Pubchem Id7046
Chembl IdCHEMBL14346
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 2CK
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
P15379 BXGT008114 CD44 antigen reviewed Cd44 - - - 11200000 -
Binding DB 13016
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 BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT 5800 - - -
reviewed BXGT010170 Nicotinamide N-methyltransferase reviewed Enzyme NNMT 47000000 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 10000 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 10300 - - -
reviewed BXGT008472 5-hydroxytryptamine receptor 1A reviewed Htr1a >50000 - - -
reviewed BXGT008186 CD44 antigen reviewed CD44 - - 6900000 -
reviewed BXGT008114 CD44 antigen reviewed Cd44 - - 11200000 -
reviewed BXGT008186 CD44 antigen reviewed CD44 - 27000000 - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 9670 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 5000 - - -
reviewed BXGT008818 Alpha-2A adrenergic receptor reviewed Adra2a 1580 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 6670 - - -
reviewed BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT 15000 - - -
reviewed BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 9700 - - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA 210000 - - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB 15000 - - -
CHEMBL CHEMBL14346
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
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 7943 nM
P11086 BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT Ki '=' 15000 nM
P16070 BXGT008186 CD44 antigen reviewed - CD44 Kd '=' 6900000 nM
P16070 BXGT008186 CD44 antigen reviewed - CD44 IC50 '=' 27000000 nM
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ki '=' 2 nM
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 2 nM
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ki '=' 2 nM
P11086 BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT Inhibition '=' 73 %
P11086 BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT Ki '=' 5800 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 9700 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 9670 nM
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ki '=' 350 nM
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 350 nM
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ki '=' 350 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 210000 nM
P11086 BXGT007652 Phenylethanolamine N-methyltransferase reviewed Enzyme PNMT Inhibition '=' 3 %
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 10000 nM
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 DA release '=' 20 %
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 10300 nM
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 DA release '=' 1 %
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 15000 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 1 nM
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 5000 nM
P19327 BXGT008472 5-hydroxytryptamine receptor 1A reviewed - Htr1a Ki '>' 50000 nM
P15379 BXGT008114 CD44 antigen reviewed - Cd44 Kd '=' 11200000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
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