Showing entry for N-Demethyldiazepam


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0003886
Compound NameN-Demethyldiazepam
Structure
FormulaC15H11ClN2O
InchiKeyAKPLHCDWDRPJGD-UHFFFAOYSA-N
SMILESClC1=CC=C2NC(=O)CN=C(C3=CC=CC=C3)C2=C1
InchiInChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
IUPAC7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
Molecular Weight270.71
Pubchem Id2997
Chembl IdCHEMBL523
Targets of Information Source
DrugBank DB14028
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
P14867 BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 experimental -
P47869 BXGT010590 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed Ion channel GABRA2 experimental -
P34903 BXGT009769 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed Ion channel GABRA3 experimental -
P48169 BXGT010622 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed Ion channel GABRA4 experimental -
P31644 BXGT009557 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed Ion channel GABRA5 experimental -
Q16445 BXGT013629 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed Ion channel GABRA6 experimental -
P18505 BXGT008409 Gamma-aminobutyric acid receptor subunit beta-1 reviewed Ion channel GABRB1 experimental -
P47870 BXGT010591 Gamma-aminobutyric acid receptor subunit beta-2 reviewed Ion channel GABRB2 experimental -
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 experimental -
O14764 BXGT004094 Gamma-aminobutyric acid receptor subunit delta reviewed Ion channel GABRD experimental -
P78334 BXGT011834 Gamma-aminobutyric acid receptor subunit epsilon reviewed Ion channel GABRE experimental -
Q8N1C3 BXGT018498 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed Ion channel GABRG1 experimental -
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 experimental -
Q99928 BXGT019975 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed Ion channel GABRG3 experimental ligand
O00591 BXGT003939 Gamma-aminobutyric acid receptor subunit pi reviewed Ion channel GABRP experimental -
Q9UN88 BXGT021783 Gamma-aminobutyric acid receptor subunit theta reviewed Ion channel GABRQ experimental positive allosteric modulator
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 50027835
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 BXGT008211 Translocator protein reviewed Tspo - 520000 - -
reviewed BXGT009435 Translocator protein reviewed TSPO - 9397233106 - -
CHEMBL CHEMBL523
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
Q16445 BXGT013629 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed Ion channel GABRA6 IC50 '=' 106414301 nM
P31644 BXGT009557 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed Ion channel GABRA5 IC50 '=' 106414301 nM
P47869 BXGT010590 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed Ion channel GABRA2 IC50 '=' 106414301 nM
P78334 BXGT011834 Gamma-aminobutyric acid receptor subunit epsilon reviewed Ion channel GABRE IC50 '=' 106414301 nM
P18505 BXGT008409 Gamma-aminobutyric acid receptor subunit beta-1 reviewed Ion channel GABRB1 IC50 '=' 106414301 nM
Q8N1C3 BXGT018498 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed Ion channel GABRG1 IC50 '=' 106414301 nM
O14764 BXGT004094 Gamma-aminobutyric acid receptor subunit delta reviewed Ion channel GABRD IC50 '=' 106414301 nM
O00591 BXGT003939 Gamma-aminobutyric acid receptor subunit pi reviewed Ion channel GABRP IC50 '=' 106414301 nM
P34903 BXGT009769 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed Ion channel GABRA3 IC50 '=' 106414301 nM
Q9UN88 BXGT021783 Gamma-aminobutyric acid receptor subunit theta reviewed Ion channel GABRQ IC50 '=' 106414301 nM
Q99928 BXGT019975 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed Ion channel GABRG3 IC50 '=' 106414301 nM
P48169 BXGT010622 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed Ion channel GABRA4 IC50 '=' 106414301 nM
P28472 BXGT009260 Gamma-aminobutyric acid receptor subunit beta-3 reviewed Ion channel GABRB3 IC50 '=' 106414301 nM
P18507 BXGT008411 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed Ion channel GABRG2 IC50 '=' 106414301 nM
P47870 BXGT010591 Gamma-aminobutyric acid receptor subunit beta-2 reviewed Ion channel GABRB2 IC50 '=' 106414301 nM
P14867 BXGT008061 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed Ion channel GABRA1 IC50 '=' 106414301 nM
P02763 BXGT005951 Alpha-1-acid glycoprotein 1 reviewed - ORM1 Activity '=' 9 uM
P16305 BXGT008215 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 IC50 '=' 0 nM
P27681 BXGT009196 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 IC50 '=' 0 nM
P63080 BXGT011492 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 IC50 '=' 0 nM
Q9D6F4 BXGT020259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 IC50 '=' 0 nM
P22933 BXGT008819 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd IC50 '=' 0 nM
P26049 BXGT009086 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 IC50 '=' 0 nM
Q9JLF1 BXGT020834 Gamma-aminobutyric acid receptor subunit theta reviewed - Gabrq IC50 '=' 0 nM
P62812 BXGT011459 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 IC50 '=' 0 nM
A2AMW3 BXGT001075 Gamma-aminobutyric acid (GABA) A receptor, subunit epsilon unreviewed - Gabre IC50 '=' 0 nM
P22723 BXGT008798 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 IC50 '=' 0 nM
Q9R0Y8 BXGT021410 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 IC50 '=' 0 nM
P50571 BXGT010810 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 IC50 '=' 0 nM
Q8QZW7 BXGT018675 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp IC50 '=' 0 nM
P26048 BXGT009085 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 IC50 '=' 0 nM
Q8BHJ7 BXGT017911 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 IC50 '=' 0 nM
P16257 BXGT008211 Translocator protein reviewed - Tspo IC50 '=' 520000 nM
P30536 BXGT009435 Translocator protein reviewed - TSPO IC50 '=' 106414301 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 206 nM
P02768 BXGT005955 Serum albumin reviewed Transporter ALB Activity '=' 17 uM
P16305 BXGT008215 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 Ki '=' 73000 nM
P27681 BXGT009196 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 Ki '=' 73000 nM
P63080 BXGT011492 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 Ki '=' 73000 nM
Q9D6F4 BXGT020259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 Ki '=' 73000 nM
P22933 BXGT008819 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd Ki '=' 73000 nM
P26049 BXGT009086 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 Ki '=' 73000 nM
Q9JLF1 BXGT020834 Gamma-aminobutyric acid receptor subunit theta reviewed - Gabrq Ki '=' 73000 nM
P62812 BXGT011459 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 Ki '=' 73000 nM
A2AMW3 BXGT001075 Gamma-aminobutyric acid (GABA) A receptor, subunit epsilon unreviewed - Gabre Ki '=' 73000 nM
P22723 BXGT008798 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 Ki '=' 73000 nM
Q9R0Y8 BXGT021410 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 Ki '=' 73000 nM
P50571 BXGT010810 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 Ki '=' 73000 nM
Q8QZW7 BXGT018675 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp Ki '=' 73000 nM
P26048 BXGT009085 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 Ki '=' 73000 nM
Q8BHJ7 BXGT017911 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 Ki '=' 73000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00187 Common wheat Triticum aestivum Cereals and cereal products
BXGF00205 Corn Zea mays 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