Showing entry for 1-Methylnaphthalene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004951
Compound Name1-Methylnaphthalene
Structure
FormulaC11H10
InchiKeyQPUYECUOLPXSFR-UHFFFAOYSA-N
SMILESCC1=CC=CC2=CC=CC=C12
InchiInChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
IUPAC1-methylnaphthalene
Molecular Weight142.2
Pubchem Id7002
Chembl IdCHEMBL383808
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 50159279
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 - 34000 - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 33963 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 24000 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 23988 - -
CHEMBL CHEMBL383808
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
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 24000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 34000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 33962 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 1122 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 110000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 5623 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 5955 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 23988 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00522 Narrowleaf cattail Typha angustifolia Vegetables
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF01743 Uncaria macrophylla Uncaria macrophylla Medicinal Plant
BXGF01878 Lobelia chinensis Lobelia chinensis Medicinal Plant
BXGF02567 Lycium chinense Lycium chinense Medicinal Plant
BXGF03645 Lycium barbarum Lycium barbarum Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
BXGF05358 Codonopsis radix Codonopsis radix Others
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