acompound

Showing entry for Dibutyl phthalate

General Compound Information
BXGC Id	BXGC0005254
Compound Name	Dibutyl phthalate
Structure
Formula	C16H22O4
InchiKey	DOIRQSBPFJWKBE-UHFFFAOYSA-N
SMILES	CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Inchi	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
IUPAC	1,2-dibutyl benzene-1,2-dicarboxylate
Molecular Weight	278.34
Pubchem Id	3026
Chembl Id	CHEMBL272485

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

DB7

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
P00592	BXGT005593	Phospholipase A2, major isoenzyme	reviewed	PLA2G1B	-	-	-	-	-

Binding DB

50371946

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	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	-	420000	-	-
reviewed	BXGT007585	Cathepsin B	reviewed		Ctsb	-	230000	-	-

CHEMBL

CHEMBL272485

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
P10605	BXGT007585	Cathepsin B	reviewed	-	Ctsb	IC50	'='	230000	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	119	%
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	35481	nM
Q99700	BXGT019949	Ataxin-2	reviewed	Nucleic acid binding	ATXN2	Potency	-	6309	nM
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	28183	nM
P07858	BXGT006689	Cathepsin B	reviewed	Enzyme	CTSB	IC50	'='	420000	nM
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	Potency	-	251	nM
Q8WZA2	BXGT019025	Rap guanine nucleotide exchange factor 4	reviewed	Enzyme modulator	RAPGEF4	Potency	-	31622	nM
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	70794	nM
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	12589	nM
Q12809	BXGT013267	Potassium voltage-gated channel subfamily H member 2	reviewed	Ion channel	KCNH2	Potency	-	79432	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	56234	nM
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	Nuclear receptor	RORC	Potency	-	6682	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	50118	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	28183	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	56234	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	124	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00033	Kohlrabi	Brassica oleracea var. gongylodes	Vegetables
BXGF00103	Lichee	Litchi chinensis	Fruits
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF01118	Echinops grijsii	Echinops grijsii	Medicinal Plant
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01166	Strophanthus sarmentosus var. senegambiae	Strophanthus sarmentosus var. senegambiae	Others
BXGF01267	Dendrobium chrysanthum	Dendrobium chrysanthum	Medicinal Plant
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01408	Flemingia prostrata roxb	Flemingia prostrata roxb	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01771	Achyranthes fauriei	Achyranthes fauriei	Medicinal Plant
BXGF01856	Aquilaria sinensis	Aquilaria sinensis	Medicinal Plant
BXGF01960	Achyranthes bidentata	Achyranthes bidentata	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03226	Lebeckia plukenetiana	Lebeckia plukenetiana	Others
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03341	Lycopus lucidus	Lycopus lucidus	Medicinal Plant
BXGF03608	Achyranthes japonica	Achyranthes japonica	Medicinal Plant
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04268	Cyperus pilosus	Cyperus pilosus	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04907	Echinopsis radix	Echinopsis radix	Others
BXGF05140	Amomum neoaurantiacum	Amomum neoaurantiacum	Others
BXGF05175	Securigera securidaca	Securigera securidaca	Others
BXGF05306	Tanacetum cinerariifolium	Tanacetum cinerariifolium	Medicinal Plant
BXGF05341	Scrophularia ningpoensis	Scrophularia ningpoensis	Medicinal Plant
BXGF05388	Physocarpus intermedius	Physocarpus intermedius	Others
BXGF05421	Tussilago farfara	Tussilago farfara	Medicinal Plant
BXGF05511	Acorus gramineus	Acorus gramineus	Medicinal Plant
BXGF05520	Euphorbia humifusa	Euphorbia humifusa	Medicinal Plant
BXGF05670	Scrophularia buergeriana	Scrophularia buergeriana	Medicinal Plant
BXGF05799	Saraca asoca	Saraca asoca	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant
BXGF06026	Magnolia officinalis rehd et wils	Magnolia officinalis rehd et wils	Others
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}