acompound

Showing entry for Artesunate

General Compound Information
BXGC Id	BXGC0040364
Compound Name	Artesunate
Structure
Formula	C19H28O8
InchiKey	FIHJKUPKCHIPAT-AHIGJZGOSA-N
SMILES	OC(=O)CCC(=O)O[C@@H]1O[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/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
IUPAC
Molecular Weight	384.18
Pubchem Id	6917864
Chembl Id	CHEMBL361497

Targets of Information Source

DrugBank

DB09274

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
P04926	BXGT006284	Malaria protein EXP-1	reviewed	-	EXP-1	approved; investigational	inhibitor

PDB

D95

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
Q03555	BXGT012727	Gephyrin	reviewed	Gphn	-	-	-	-	-

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

CHEMBL361497

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	4	%
Q9BUF5	BXGT020135	Tubulin beta-6 chain	reviewed	Cellular structure	TUBB6	Inhibition	-	-	-
Q9BVA1	BXGT020142	Tubulin beta-2B chain	reviewed	-	TUBB2B	Inhibition	-	-	-
Q13885	BXGT013400	Tubulin beta-2A chain	reviewed	Cellular structure	TUBB2A	Inhibition	-	-	-
Q6PEY2	BXGT016465	Tubulin alpha-3E chain	reviewed	Cellular structure	TUBA3E	Inhibition	-	-	-
Q9BQE3	BXGT020109	Tubulin alpha-1C chain	reviewed	Cellular structure	TUBA1C	Inhibition	-	-	-
P68363	BXGT011594	Tubulin alpha-1B chain	reviewed	Cellular structure	TUBA1B	Inhibition	-	-	-
P07437	BXGT006624	Tubulin beta chain	reviewed	Cellular structure	TUBB	Inhibition	-	-	-
Q3ZCM7	BXGT014551	Tubulin beta-8 chain	reviewed	-	TUBB8	Inhibition	-	-	-
P04350	BXGT006193	Tubulin beta-4A chain	reviewed	Cellular structure	TUBB4A	Inhibition	-	-	-
Q71U36	BXGT016705	Tubulin alpha-1A chain	reviewed	Cellular structure	TUBA1A	Inhibition	-	-	-
Q13509	BXGT013366	Tubulin beta-3 chain	reviewed	Cellular structure	TUBB3	Inhibition	-	-	-
P68366	BXGT011595	Tubulin alpha-4A chain	reviewed	Cellular structure	TUBA4A	Inhibition	-	-	-
P0DPH7	BXGT007527	Tubulin alpha-3C chain	reviewed	-	TUBA3C	Inhibition	-	-	-
Q9H4B7	BXGT020475	Tubulin beta-1 chain	reviewed	Cellular structure	TUBB1	Inhibition	-	-	-
P68371	BXGT011597	Tubulin beta-4B chain	reviewed	Cellular structure	TUBB4B	Inhibition	-	-	-
P05227	BXGT006343	Histidine-rich protein PFHRP-II	reviewed	-		Activity	-	-	-
Q92887	BXGT019389	Canalicular multispecific organic anion transporter 1	reviewed	Transporter	ABCC2	IC50	'='	133000	nM
Q9Z1B7	BXGT022403	Mitogen-activated protein kinase 13	reviewed	-	Mapk13	Inhibition	-	-	-
Q9WUI1	BXGT021940	Mitogen-activated protein kinase 11	reviewed	-	Mapk11	Inhibition	-	-	-
O08911	BXGT004043	Mitogen-activated protein kinase 12	reviewed	-	Mapk12	Inhibition	-	-	-
P47811	BXGT010587	Mitogen-activated protein kinase 14	reviewed	-	Mapk14	Inhibition	-	-	-
Q60680	BXGT015995	Inhibitor of nuclear factor kappa-B kinase subunit alpha	reviewed	-	Chuk	Inhibition	-	-	-
O88351	BXGT005270	Inhibitor of nuclear factor kappa-B kinase subunit beta	reviewed	-	Ikbkb	Inhibition	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	-5	%
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Inhibition	-	-	-
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Inhibition	-	-	-
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	Inhibition	-	-	-
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Activity	'='	35	%
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	Activity	'='	35	%
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	Activity	'='	35	%
O15438	BXGT004168	Canalicular multispecific organic anion transporter 2	reviewed	Transporter	ABCC3	IC50	'='	133000	nM
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'='	133000	nM
O15439	BXGT004169	Multidrug resistance-associated protein 4	reviewed	Transporter	ABCC4	IC50	'='	133000	nM

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}