Showing entry for 4-(Dimethylamino)Benzaldehyde


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0047784
Compound Name4-(Dimethylamino)Benzaldehyde
Structure
FormulaC9H11NO
InchiKeyBGNGWHSBYQYVRX-UHFFFAOYSA-N
SMILESO=Cc1ccc(cc1)N(C)C
InchiInChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
IUPAC4-(dimethylamino)benzaldehyde
Molecular Weight149.08
Pubchem Id7479
Chembl IdCHEMBL3188333
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 50101990
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 BXGT013658 Cytochrome P450 2A13 reviewed CYP2A13 - - 650 -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 - - 680 -
reviewed BXGT007716 Cytochrome P450 2A6 reviewed CYP2A6 3600 - - -
reviewed BXGT013658 Cytochrome P450 2A13 reviewed CYP2A13 17000 - - -
CHEMBL CHEMBL3188333
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
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 Kd '=' 680 nM
Q16696 BXGT013658 Cytochrome P450 2A13 reviewed - CYP2A13 Ki '=' 17000 nM
Q16696 BXGT013658 Cytochrome P450 2A13 reviewed - CYP2A13 Kd '=' 650 nM
P11509 BXGT007716 Cytochrome P450 2A6 reviewed - CYP2A6 Ki '=' 3600 nM
P05164 BXGT006333 Myeloperoxidase reviewed Enzyme MPO Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
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