Showing entry for 1-Isothiocyanato-3-phenylpropane


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0009636
Compound Name1-Isothiocyanato-3-phenylpropane
Structure
FormulaC10H11NS
InchiKeyGRUOGLPIAPZLHJ-UHFFFAOYSA-N
SMILESS=C=NCCCC1=CC=CC=C1
InchiInChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
IUPAC(3-isothiocyanatopropyl)benzene
Molecular Weight177.27
Pubchem Id75815
Chembl IdCHEMBL54380
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 50073716
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 BXGT007991 Macrophage migration inhibitory factor reviewed MIF - 1400 - -
CHEMBL CHEMBL54380
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
P10649 BXGT007600 Glutathione S-transferase Mu 1 reviewed - Gstm1 Ratio '=' 1 -
Q9Y2Q3 BXGT022242 Glutathione S-transferase kappa 1 reviewed - GSTK1 Activity '=' 5 uM min-1 (mg of protein)-1
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Activity - - -
P14174 BXGT007991 Macrophage migration inhibitory factor reviewed - MIF IC50 '=' 1400 nM
Q9Y2Q3 BXGT022242 Glutathione S-transferase kappa 1 reviewed - GSTK1 Activity '=' 1 uM min-1 (mg of protein)-1
P10649 BXGT007600 Glutathione S-transferase Mu 1 reviewed - Gstm1 Ratio '=' 1 -
P10649 BXGT007600 Glutathione S-transferase Mu 1 reviewed - Gstm1 Ratio '=' 1 -
Q9Y2Q3 BXGT022242 Glutathione S-transferase kappa 1 reviewed - GSTK1 Activity '=' 0 uM min-1 (mg of protein)-1
Q9Y2Q3 BXGT022242 Glutathione S-transferase kappa 1 reviewed - GSTK1 Activity '=' 1 uM min-1 (mg of protein)-1
Q9Y2Q3 BXGT022242 Glutathione S-transferase kappa 1 reviewed - GSTK1 Activity '=' 0 uM min-1 (mg of protein)-1
P10649 BXGT007600 Glutathione S-transferase Mu 1 reviewed - Gstm1 Ratio '=' 1 -
P10649 BXGT007600 Glutathione S-transferase Mu 1 reviewed - Gstm1 Ratio '=' 2 -
Q9Y2Q3 BXGT022242 Glutathione S-transferase kappa 1 reviewed - GSTK1 Activity '=' 0 uM min-1 (mg of protein)-1
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00018 Horseradish Armoracia rusticana Herbs and Spices
BXGF00809 Brassicas 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