Showing entry for 1,2-Dimethylnaphthalene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020317
Compound Name1,2-Dimethylnaphthalene
Structure
FormulaC12H12
InchiKeyQNLZIZAQLLYXTC-UHFFFAOYSA-N
SMILESCc1ccc2c(c1C)cccc2
InchiInChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
IUPAC1,2-dimethylnaphthalene
Molecular Weight156.09
Pubchem Id11317
Chembl IdCHEMBL382541
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 50159280
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 BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 26000 - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 26002 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 24000 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 23988 - -
CHEMBL CHEMBL382541
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
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 26000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 5500 nM
P16473 BXGT008234 Thyrotropin receptor reviewed G-protein coupled receptor TSHR Potency '=' 31 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 79432 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 26001 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 23988 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 24000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04605 Senna alexandrina Senna alexandrina Medicinal Plant
BXGF04812 Meconopsis punicea Meconopsis punicea 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