acompound

Showing entry for Creatinine

General Compound Information
BXGC Id	BXGC0012292
Compound Name	Creatinine
Structure
Formula	C4H7N3O
InchiKey	DDRJAANPRJIHGJ-UHFFFAOYSA-N
SMILES	CN1CC(=O)NC1=N
Inchi	InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
IUPAC	2-imino-1-methylimidazolidin-4-one
Molecular Weight	113.12
Pubchem Id	588
Chembl Id	CHEMBL65567

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

CHEMBL65567

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
O15244	BXGT004140	Solute carrier family 22 member 2	reviewed	Transporter	SLC22A2	Activity	-	-	-
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
Q7Z2H8	BXGT017247	Proton-coupled amino acid transporter 1	reviewed	Transporter	SLC36A1	pKi	'='	-1	mM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	1584	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	93	%
Q7Z2H8	BXGT017247	Proton-coupled amino acid transporter 1	reviewed	Transporter	SLC36A1	Ki	'='	15000000	nM
O15245	BXGT004141	Solute carrier family 22 member 1	reviewed	Transporter	SLC22A1	Inhibition	'='	13	%
Q9R0W2	BXGT021408	Solute carrier family 22 member 2	reviewed	-	Slc22a2	Activity	-	-	-
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	50118	nM
O76082	BXGT005175	Solute carrier family 22 member 5	reviewed	Transporter	SLC22A5	Activity	-	-	-
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	100000	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	105	%
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	35481	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00034	Broccoli	Brassica oleracea var. italica	Vegetables
BXGF00036	Turnip	Brassica rapa var. rapa	Herbs and Spices
BXGF00065	Cucumber	Cucumis sativus	Gourds
BXGF00088	Barley	Hordeum vulgare	Cereals and cereal products
BXGF00129	Parsnip	Pastinaca sativa	Vegetables
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00169	Rye	Secale cereale	Cereals and cereal products
BXGF00174	Eggplant	Solanum melongena	Vegetables
BXGF00175	Potato	Solanum tuberosum	Vegetables
BXGF00178	Spinach	Spinacia oleracea	Vegetables
BXGF00225	Swiss chard	Beta vulgaris ssp. cicla	Vegetables
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00519	Wheat	Triticum	Cereals and cereal products
BXGF00826	Sunburst squash (pattypan squash)	Cucurbita pepo var. clypeata	Gourds
BXGF00827	Green zucchini	Cucurbita pepo var. cylindrica	Gourds
BXGF00828	Yellow zucchini	Cucurbita pepo var. cylindrica	Gourds
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF00834	Yellow wax bean	Phaseolus vulgaris	Pulses
BXGF00835	Green bean	Phaseolus vulgaris	Pulses
BXGF00836	Saskatoon berry	Amelanchier alnifolia	Fruits
BXGF00837	Nanking cherry	Prunus tomentosa	Fruits
BXGF00838	Japanese pumpkin	Cucurbita maxima	Gourds
BXGF00839	White cabbage	Brassica oleracea L. var. capitata L. f. alba DC.	Vegetables

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}