Showing entry for 2-Methylnaphthalene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0004021
Compound Name2-Methylnaphthalene
Structure
FormulaC11H10
InchiKeyQIMMUPPBPVKWKM-UHFFFAOYSA-N
SMILESCC1=CC=C2C=CC=CC2=C1
InchiInChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3
IUPAC2-methylnaphthalene
Molecular Weight142.2
Pubchem Id7055
Chembl IdCHEMBL195895
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 50159241
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 - 2400 - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 2399 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 7000 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 6998 - -
CHEMBL CHEMBL195895
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 '=' 6998 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 2398 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 120000 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 7000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 2400 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 70794 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00205 Corn Zea mays Cereals and cereal products
BXGF01140 Angelica gigas Angelica gigas Medicinal Plant
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF02049 Angelica sinensis Angelica sinensis Medicinal Plant
BXGF02567 Lycium chinense Lycium chinense Medicinal Plant
BXGF03015 Gmelina arborea Gmelina arborea Medicinal Plant
BXGF03199 Combretum indicum Combretum indicum Medicinal Plant
BXGF03645 Lycium barbarum Lycium barbarum Medicinal Plant
BXGF04842 Angelica acutiloba Angelica acutiloba 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