Showing entry for 1,3-Dicyclohexylurea


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0013714
Compound Name1,3-Dicyclohexylurea
Structure
FormulaC13H24N2O
InchiKeyADFXKUOMJKEIND-UHFFFAOYSA-N
SMILESOC(=NC1CCCCC1)NC1CCCCC1
InchiInChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)
IUPAC1,3-dicyclohexylurea
Molecular Weight224.19
Pubchem Id4277
Chembl IdCHEMBL1458
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 DCW
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
P00829 BXGT005671 ATP synthase subunit beta, mitochondrial reviewed ATP5F1B - - - - -
P43457 BXGT010391 V-type sodium ATPase subunit K reviewed ntpK - - - - -
P00415 BXGT005530 Cytochrome c oxidase subunit 3 reviewed MT-CO3 - - - - -
D5A0Q7 BXGT002938 ATP synthase subunit c unreviewed atpH - - - - -
P61829 BXGT011387 ATP synthase subunit 9, mitochondrial reviewed OLI1 - - - - -
Q02060 BXGT012632 Photosystem II 22 kDa protein, chloroplastic reviewed PSBS - - - - -
Binding DB 25731
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 BXGT012152 Epoxide hydrolase B reviewed MT1988 - 290 - -
reviewed BXGT020258 Epoxide hydrolase 1 reviewed Ephx1 - 90 - -
reviewed BXGT006546 Epoxide hydrolase 1 reviewed EPHX1 - 160 - -
reviewed BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 - 25 - -
reviewed BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 - 5.1 - -
reviewed BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 - 3 - -
reviewed BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 - 52 - -
CHEMBL CHEMBL1458
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
P34913 BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 IC50 '=' 52 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Potency '=' 3162 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 631 nM
P34913 BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 IC50 '=' 25 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 35481 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 50118 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 50118 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 44668 nM
Q9D379 BXGT020258 Epoxide hydrolase 1 reviewed - Ephx1 IC50 '=' 90 nM
P07099 BXGT006546 Epoxide hydrolase 1 reviewed - EPHX1 IC50 '=' 160 nM
P34913 BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 IC50 '=' 25 nM
P34913 BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 IC50 '=' 3 nM
P34913 BXGT009770 Bifunctional epoxide hydrolase 2 reviewed Enzyme EPHX2 IC50 '=' 5 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00142 Purslane Portulaca oleracea 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