acompound

Showing entry for Docusate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015884
Compound Name	Docusate
Structure
Formula	C20H38O7S
InchiKey	HNSDLXPSAYFUHK-UHFFFAOYSA-N
SMILES	CCCCC(COC(=O)CC(S(=O)(=O)O)C(=O)OCC(CCCC)CC)CC
Inchi	InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)
IUPAC	1,4-bis(2-ethylhexoxy)-1-oxo-4-oxoniumylidenebutane-2-sulfonate
Molecular Weight	422.23
Pubchem Id	11339
Chembl Id	CHEMBL1477036

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

n.a

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

CHEMBL

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
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	28183	nM
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	39810	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	28183	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	31622	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	33498	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	25118	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	33587	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	36125	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF03158	Rheum officinale	Rheum officinale	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}