Showing entry for Dechlorodiazepam


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003963
Compound NameDechlorodiazepam
Structure
FormulaC16H14N2O
InchiKeyPLZWYQYDWCXHTF-UHFFFAOYSA-N
SMILESCN1C2=C(C=CC=C2)C(=NCC1=O)C1=CC=CC=C1
InchiInChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3
IUPAC1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Molecular Weight250.3
Pubchem Id613843
Chembl IdCHEMBL73096
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 50019266
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 BXGT009611 Cholecystokinin receptor type A reviewed G-protein coupled receptor CCKAR - >100000 - -
reviewed BXGT009439 Cholecystokinin receptor type A reviewed Cckar - 24600 - -
reviewed BXGT009612 Gastrin/cholecystokinin type B receptor reviewed G-protein coupled receptor CCKBR - 94000 - -
reviewed BXGT010590 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed Ion channel GABRA2 138 - - -
reviewed BXGT009769 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed Ion channel GABRA3 318 - - -
reviewed BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 81 - - -
reviewed BXGT009557 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed Ion channel GABRA5 96 - - -
reviewed BXGT013629 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed Ion channel GABRA6 >3000 - - -
reviewed BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 - >10000 - -
reviewed BXGT009557 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed Ion channel GABRA5 - >10000 - -
CHEMBL CHEMBL73096
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
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 Ki '=' 81 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 Ki '=' 81 nM
P14867 BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 Ki '=' 81 nM
Q16445 BXGT013629 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed Ion channel GABRA6 Ki '>' 3000 nM
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 Ki '>' 3000 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 Ki '>' 3000 nM
P14867 BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 IC50 '>' 10000 nM
P31644 BXGT009557 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed Ion channel GABRA5 IC50 '>' 10000 nM
P30551 BXGT009439 Cholecystokinin receptor type A reviewed - Cckar IC50 '=' 24600 nM
P32239 BXGT009612 Gastrin/cholecystokinin type B receptor reviewed G-protein coupled receptor CCKBR IC50 '=' 94000 nM
P32238 BXGT009611 Cholecystokinin receptor type A reviewed G-protein coupled receptor CCKAR IC50 '>' 100000 nM
P32239 BXGT009612 Gastrin/cholecystokinin type B receptor reviewed G-protein coupled receptor CCKBR IC50 '>' 100000 nM
P47869 BXGT010590 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed Ion channel GABRA2 Ki '=' 138 nM
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 Ki '=' 138 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 Ki '=' 138 nM
P34903 BXGT009769 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed Ion channel GABRA3 Ki '=' 318 nM
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 Ki '=' 318 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 Ki '=' 318 nM
P31644 BXGT009557 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed Ion channel GABRA5 Ki '=' 96 nM
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 Ki '=' 96 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 Ki '=' 96 nM
Q9ES14 BXGT020314 Gamma-aminobutyric acid receptor subunit epsilon reviewed - Gabre IC50 '=' 65 nM
Q91ZM7 BXGT019327 GABA theta subunit unreviewed - Gabrq IC50 '=' 65 nM
P63138 BXGT011502 Gamma-aminobutyric acid receptor subunit beta-2 reviewed - Gabrb2 IC50 '=' 65 nM
P63079 BXGT011491 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 IC50 '=' 65 nM
P62813 BXGT011460 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 IC50 '=' 65 nM
P30191 BXGT009410 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 IC50 '=' 65 nM
P28473 BXGT009261 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 IC50 '=' 65 nM
P28471 BXGT009259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 IC50 '=' 65 nM
P23576 BXGT008885 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 IC50 '=' 65 nM
P23574 BXGT008884 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 IC50 '=' 65 nM
P20236 BXGT008551 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 IC50 '=' 65 nM
P19969 BXGT008536 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 IC50 '=' 65 nM
P18508 BXGT008412 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 IC50 '=' 65 nM
P18506 BXGT008410 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd IC50 '=' 65 nM
P15431 BXGT008122 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 IC50 '=' 65 nM
O09028 BXGT004049 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp IC50 '=' 65 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00187 Common wheat Triticum aestivum Cereals and cereal products
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