Showing entry for Propoxur


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0043854
Compound NamePropoxur
Structure
FormulaC11H15NO3
InchiKeyISRUGXGCCGIOQO-UHFFFAOYSA-N
SMILESCN=C(Oc1ccccc1OC(C)C)O
InchiInChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
IUPAC(2-propan-2-yloxyphenyl) N-methylcarbamate
Molecular Weight209.11
Pubchem Id4944
Chembl IdCHEMBL446060
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 50064617
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 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE 17 - - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 2300 - -
reviewed BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE - 590 - -
reviewed BXGT017587 Acetylcholinesterase reviewed Ace - 44 - -
reviewed BXGT017587 Acetylcholinesterase reviewed Ace - 182 - -
CHEMBL CHEMBL446060
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
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Kinact '=' 17 /mM/min
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 2511 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 31622 nM
Q869C3 BXGT017587 Acetylcholinesterase reviewed - Ace Inhibition '=' 49 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 2310 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 79432 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
Q869C3 BXGT017587 Acetylcholinesterase reviewed - Ace IC50 '=' 43 nM
O00519 BXGT003934 Fatty-acid amide hydrolase 1 reviewed - FAAH Inhibition '=' 13 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 109 %
Q869C3 BXGT017587 Acetylcholinesterase reviewed - Ace IC50 '=' 182 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 2300 nM
Q869C3 BXGT017587 Acetylcholinesterase reviewed - Ace Kinact '=' 266 /mM/min
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE IC50 '=' 590 nM
P22303 BXGT008751 Acetylcholinesterase reviewed Enzyme ACHE Ki '=' 17 mM/min
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 103 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
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