Showing entry for 1,4-Dichlorobenzene


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0023771
Compound Name1,4-Dichlorobenzene
Structure
FormulaC6H4Cl2
InchiKeyOCJBOOLMMGQPQU-UHFFFAOYSA-N
SMILESClc1ccc(cc1)Cl
InchiInChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
IUPAC1,4-dichlorobenzene
Molecular Weight145.97
Pubchem Id4685
Chembl IdCHEMBL190982
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 50159263
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 - 17000 - -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - 16982 - -
reviewed BXGT008610 Cytochrome P450 2A5 reviewed Cyp2a5 - 1000 - -
CHEMBL CHEMBL190982
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
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 99 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 96 %
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 Activity - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35481 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 16982 nM
P20852 BXGT008610 Cytochrome P450 2A5 reviewed - Cyp2a5 IC50 '=' 1000 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 IC50 '=' 17000 nM
P21398 BXGT008645 Amine oxidase [flavin-containing] A reviewed - MAOA Activity - - -
P42573 BXGT010316 Cell death protein 3 reviewed - ced-3 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF04238 Capsella bursa-pastoris Capsella bursa-pastoris Medicinal Plant
BXGF04605 Senna alexandrina Senna alexandrina 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