acompound

Showing entry for artemisinine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040850
Compound Name	artemisinine
Structure
Formula	C15H22O5
InchiKey	BLUAFEHZUWYNDE-NNWCWBAJSA-N
SMILES	O=C1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
Inchi	InChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
IUPAC
Molecular Weight	282.15
Pubchem Id	68827
Chembl Id	CHEMBL269671

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

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	50000	-	-
reviewed	BXGT008603	Cytochrome P450 2B6	reviewed		CYP2B6	4600	-	-	-
reviewed	BXGT008603	Cytochrome P450 2B6	reviewed		CYP2B6	-	12100	-	-
reviewed	BXGT008603	Cytochrome P450 2B6	reviewed		CYP2B6	-	8400	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	25000	-	-	-
reviewed	BXGT005128	Nuclear receptor subfamily 1 group I member 2	reviewed	Nuclear receptor	NR1I2	-	-	-	30000
reviewed	BXGT008603	Cytochrome P450 2B6	reviewed		CYP2B6	-	-	-	600
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	-	-	5900

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
P12821	BXGT007849	Angiotensin-converting enzyme	reviewed	Enzyme	ACE	Inhibition	'='	17	%
Q01237	BXGT012578	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	Hmgcr	Inhibition	-	-	-
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Delta Tm	'='	0	degrees C
Q92887	BXGT019389	Canalicular multispecific organic anion transporter 1	reviewed	Transporter	ABCC2	IC50	'='	133000	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	171900	nM
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'='	133000	nM
Q02127	BXGT012635	Dihydroorotate dehydrogenase (quinone), mitochondrial	reviewed	Enzyme	DHODH	Inhibition	'='	0	%
O15438	BXGT004168	Canalicular multispecific organic anion transporter 2	reviewed	Transporter	ABCC3	IC50	'='	133000	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	158489	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Delta Tm	'='	0	degrees C
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Inhibition	'='	44	%
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Delta Tm	'='	0	degrees C
O15439	BXGT004169	Multidrug resistance-associated protein 4	reviewed	Transporter	ABCC4	IC50	'='	133000	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Delta Tm	'='	0	degrees C
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Delta Tm	'='	0	degrees C
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	Delta Tm	'='	0	degrees C

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF04271	Artemisia annua	Artemisia annua	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}