Showing entry for 2-Methyl-3,4-Dihydro-1H-Isoquinoline


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0012888
Compound Name2-Methyl-3,4-Dihydro-1H-Isoquinoline
Structure
FormulaC10H13N
InchiKeyKYXSVGVQGFPNRQ-UHFFFAOYSA-N
SMILESCN1CCc2c(C1)cccc2
InchiInChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
IUPAC2-methyl-3,4-dihydro-1H-isoquinoline
Molecular Weight147.1
Pubchem Id15362
Chembl IdCHEMBL22053
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 50014651
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 BXGT007632 Phenylethanolamine N-methyltransferase reviewed PNMT 13600 - - -
reviewed BXGT008818 Alpha-2A adrenergic receptor reviewed Adra2a 1330 - - -
reviewed BXGT010338 Lysosomal Pro-X carboxypeptidase reviewed Enzyme PRCP - >30000 - -
reviewed BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed Sigmar1 - 2700 - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA 27000 - - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB 1000 - - -
CHEMBL CHEMBL22053
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
P22909 BXGT008818 Alpha-2A adrenergic receptor reviewed - Adra2a Ki '=' 4 nM
P19328 BXGT008473 Alpha-2B adrenergic receptor reviewed - Adra2b Ki '=' 4 nM
P22086 BXGT008728 Alpha-2C adrenergic receptor reviewed - Adra2c Ki '=' 4 nM
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 DA release '=' 28 %
P10938 BXGT007632 Phenylethanolamine N-methyltransferase reviewed - PNMT Ki '=' 1 nM
P23977 BXGT008936 Sodium-dependent dopamine transporter reviewed - Slc6a3 DA release '=' 1 %
P42785 BXGT010338 Lysosomal Pro-X carboxypeptidase reviewed Enzyme PRCP IC50 '>' 30000 nM
Q9R0C9 BXGT021402 Sigma non-opioid intracellular receptor 1 reviewed - Sigmar1 IC50 '=' 2700 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