acompound

Showing entry for Plumbagin

General Compound Information
BXGC Id	BXGC0003487
Compound Name	Plumbagin
Structure
Formula	C11H8O3
InchiKey	VCMMXZQDRFWYSE-UHFFFAOYSA-N
SMILES	CC1=CC(=O)C2=C(C=CC=C2O)C1=O
Inchi	InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
IUPAC	5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione
Molecular Weight	188.18
Pubchem Id	10205
Chembl Id	CHEMBL295316

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

90R

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
P30822	BXGT009468	Exportin-1	reviewed	CRM1	-	-	-	-	-

Binding DB

50012070

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	BXGT008644	Amine oxidase [flavin-containing] A	reviewed		MAOA	-	4910	-	-
reviewed	BXGT009278	Trypanothione reductase	reviewed		TPR	-	28000	-	-
reviewed	BXGT013038	Histone acetyltransferase p300	reviewed		EP300	-	20000	-	-
reviewed	BXGT013038	Histone acetyltransferase p300	reviewed		EP300	-	2000	-	-
reviewed	BXGT019380	Histone acetyltransferase KAT2B	reviewed		KAT2B	-	50000	-	-
reviewed	BXGT019934	Mitogen-activated protein kinase kinase kinase 14	reviewed	Kinase	MAP3K14	-	>100000	-	-

CHEMBL

CHEMBL295316

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
P09623	BXGT006912	Dihydrolipoyl dehydrogenase, mitochondrial	reviewed	-	DLD	k cat/Km	'='	29	10e4 M-1 s-1
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	11220	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	11220	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	39810	nM
Q92831	BXGT019380	Histone acetyltransferase KAT2B	reviewed	-	KAT2B	IC50	'='	50000	nM
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	Km	'='	15000	nM
P31749	BXGT009574	RAC-alpha serine/threonine-protein kinase	reviewed	Kinase	AKT1	Inhibition	-	-	-
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	3162	nM
P00533	BXGT005575	Epidermal growth factor receptor	reviewed	Kinase	EGFR	Inhibition	-	-	-
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	50118	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	10000	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	10000	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	7079	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	3162	nM
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	Potency	'='	31622	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	1158	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	10000	nM
Q99714	BXGT019954	3-hydroxyacyl-CoA dehydrogenase type-2	reviewed	Enzyme	HSD17B10	Potency	'='	12589	nM
P09623	BXGT006912	Dihydrolipoyl dehydrogenase, mitochondrial	reviewed	-	DLD	Km	'='	74000	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	3981	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	31622	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	31622	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	31622	nM
Q02750	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	Potency	'='	12589	nM
P54132	BXGT011032	Bloom syndrome protein	reviewed	-	BLM	Potency	'='	31622	nM
Q16637	BXGT013646	Survival motor neuron protein	reviewed	Epigenetic regulator	SMN1	Potency	'='	28183	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	111	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	891	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	25118	nM
P04049	BXGT006133	RAF proto-oncogene serine/threonine-protein kinase	reviewed	Kinase	RAF1	Potency	'='	25118	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	2000	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	794	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
P29466	BXGT009349	Caspase-1	reviewed	Enzyme	CASP1	Potency	'='	12589	nM
Q9F4F7	BXGT020344	4'-phosphopantetheinyl transferase ffp	reviewed	-	ffp	Potency	'='	35481	nM
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	2511	nM
Q99558	BXGT019934	Mitogen-activated protein kinase kinase kinase 14	reviewed	Kinase	MAP3K14	IC50	'>'	100000	nM
P09623	BXGT006912	Dihydrolipoyl dehydrogenase, mitochondrial	reviewed	-	DLD	Vmax	'='	25	uM min-1mg-1
P09623	BXGT006912	Dihydrolipoyl dehydrogenase, mitochondrial	reviewed	-	DLD	Reduction	'='	15	%
Q99558	BXGT019934	Mitogen-activated protein kinase kinase kinase 14	reviewed	Kinase	MAP3K14	Inhibition	'='	60	%
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	9	%
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	Vmax	'='	0	uM min-1mg-1
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	8912	nM
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	IC50	'='	28000	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	39810	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	5623	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	19952	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	17782	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	562	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	31	%
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	631	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	10000	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	6309	nM
P21398	BXGT008645	Amine oxidase [flavin-containing] A	reviewed	-	MAOA	Activity	-	-	-
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	2511	nM
P04626	BXGT006238	Receptor tyrosine-protein kinase erbB-2	reviewed	Kinase	ERBB2	Inhibition	-	-	-
P28593	BXGT009278	Trypanothione reductase	reviewed	-	TPR	x fold	'='	525	uM
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	'='	58	%
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	MIC	'='	50000	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	14125	nM
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Potency	'='	5623	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	6309	nM
P97697	BXGT012214	Inositol monophosphatase 1	reviewed	-	Impa1	Potency	'='	1995	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	2660	nM
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	22387	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	891	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	2238	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Inhibition	'='	40	%
P15428	BXGT008121	15-hydroxyprostaglandin dehydrogenase [NAD(+)]	reviewed	-	HPGD	Potency	'='	25118	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	10000	nM
P04626	BXGT006238	Receptor tyrosine-protein kinase erbB-2	reviewed	Kinase	ERBB2	IC50	'='	30800	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	2511	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	7943	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	15848	nM
P55210	BXGT011110	Caspase-7	reviewed	Enzyme	CASP7	Potency	'='	19952	nM
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	12589	nM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	Inhibition	-	-	-
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	28183	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	IC50	'>'	10000	nM
P11021	BXGT007644	Endoplasmic reticulum chaperone BiP	reviewed	-	HSPA5	Potency	-	7943	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	Kd	'='	2000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Inhibition	'='	10	%
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	IC50	'='	2460	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Ki	'='	2360	nM
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	IC50	'='	6150	nM
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Ki	'='	2560	nM
Q09472	BXGT013038	Histone acetyltransferase p300	reviewed	-	EP300	IC50	'='	20000	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Inhibition	'='	12	%
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Inhibition	'='	11	%
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Inhibition	'='	55	%
Q05397	BXGT012815	Focal adhesion kinase 1	reviewed	Kinase	PTK2	Inhibition	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Inhibition	'='	15	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	51	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	86	%
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	IC50	'='	2770	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	IC50	'>'	10000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'>'	10000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00073	Japanese persimmon	Diospyros kaki	Fruits
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00094	Common walnut	Juglans regia	Nuts
BXGF00552	Persimmon	Diospyros	Fruits
BXGF01654	Plumbago zeylanica	Plumbago zeylanica	Medicinal Plant
BXGF02305	Diospyros maritima	Diospyros maritima	Medicinal Plant
BXGF02306	Plumbago indica	Plumbago indica	Medicinal Plant
BXGF02541	Euphorbia pekinensis	Euphorbia pekinensis	Medicinal Plant
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF04037	Plumbagella micrantha	Plumbagella micrantha	Medicinal Plant
BXGF04818	Nepenthes thorelii	Nepenthes thorelii	Others
BXGF05054	barleria alluaudii	barleria alluaudii	Others
BXGF06137	Aconitum burnatii	Aconitum burnatii	Others

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}