TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 480.475 | Formula: C26H20N6O4
H donors: 0 H acceptors: 4 LogP: 5.18 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)n1c(nc2c1cccc2)c1nn(c2ccc(cc2)OC)c(=O)n2c1nc1c2cccc1
InChi: 1S/C26H20N6O4/c1-3-36-26(34)31-21-11-7-5-9-19(21)28-24(31)22-23-27-18-8-4-6-10-20(18)30(23)25(33)32(29-22)16-12-14-17(35-2)15-13-16/h4-15H,3H2,1-2H3
InChiKey: JGBNATSMVCMXEB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0037	0.0397	0.0385
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0126	0.2151	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0063	0.0146
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0063	0.005
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0228	0.1124
Toxoplasma gondii	ABC transporter, putative	0.0038	0.0423	0.1997
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0013	0.0013
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0063	0.005
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0383	0.037
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0173	0.3083	0.3075
Entamoeba histolytica	P-glyco protein 6, putative	0.0121	0.2068	0.2018
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.039	0.7365	0.7365
Brugia malayi	Inositol-1	0.0036	0.0383	0.0669
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0038	0.0423	0.1997
Trypanosoma brucei	agmatinase, putative	0.0191	0.3431	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Loa Loa (eye worm)	glutathione reductase	0.005	0.0651	0.1138
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0063	0.0146
Trichomonas vaginalis	xanthine dehydrogenase, putative	0.0173	0.3083	0.3075
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0704	0.123
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0038	0.0423	0.0623
Trichomonas vaginalis	conserved hypothetical protein	0.0524	1	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0038	0.0423	0.0423
Entamoeba histolytica	hypothetical protein	0.0038	0.0423	0.0363
Trypanosoma brucei	ABC transporter, mitochondrial, putative	0.0038	0.0423	0.1201
Brugia malayi	ABC transporter	0.0037	0.0397	0.0694
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0704	0.123
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0551	0.0551
Echinococcus granulosus	multidrug resistance protein 1	0.0121	0.2068	0.2068
Leishmania major	ATP-binding cassette protein subfamily C, member 8, putative	0.0038	0.0423	0.0411
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0378	0.0661
Loa Loa (eye worm)	multidrug resistance protein 3	0.0121	0.2068	0.3615
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0121	0.2068	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Schistosoma mansoni	ap endonuclease	0.002	0.0063	0.0063
Echinococcus multilocularis	arginase 2, mitochondrial	0.0524	1	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0013	0.0013
Brugia malayi	Matrixin family protein	0.0068	0.1023	0.1788
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0383	0.9011
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Echinococcus granulosus	arginase 2 mitochondrial	0.0524	1	1
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0038	0.0423	0.0411
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0038	0.0423	0.0363
Schistosoma mansoni	multidrug resistance protein	0.0121	0.2068	0.2068
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0651	0.0639
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.012	0.2042	0.2042
Loa Loa (eye worm)	matrixin family protein	0.0307	0.5722	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (small chain)	0.0033	0.0325	0.1461
Mycobacterium ulcerans	hydrolase	0.0083	0.1317	0.6795
Loa Loa (eye worm)	ABC transporter	0.0038	0.0423	0.074
Leishmania major	p-glycoprotein	0.0121	0.2068	0.2058
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0081	0.1276	0.1276
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0038	0.0423	0.2138
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0038	0.0423	0.0411
Brugia malayi	P-glycoprotein-like protein	0.0038	0.0423	0.074
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0038	0.0423	0.1201
Entamoeba histolytica	Arginase, putative	0.0524	1	1
Schistosoma mansoni	smdr2	0.0121	0.2068	0.2068
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0063	0.011
Brugia malayi	ABC transporter family protein	0.0038	0.0423	0.074
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0121	0.2068	0.2058
Trypanosoma brucei	trypanothione reductase	0.005	0.0651	0.1867
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2068	0.3615
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0113	0.1902	0.8837
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0038	0.0423	0.2138
Toxoplasma gondii	exonuclease III APE	0.002	0.0063	0.0243
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0113	0.1902	0.8651
Trypanosoma cruzi	arginase, putative	0.0191	0.3431	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0063	0.026
Entamoeba histolytica	multidrug resistance protein, putative	0.0038	0.0423	0.0363
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0038	0.0423	0.0411
Entamoeba histolytica	P-glycoprotein 6, putative	0.0038	0.0423	0.0363
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0121	0.2068	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0423	0.074
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0037	0.0397	0.0385
Brugia malayi	multidrug resistance protein 3	0.0121	0.2068	0.3615
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0189	0.3403	0.5373
Leishmania major	p-glycoprotein e	0.0038	0.0423	0.0411
Entamoeba histolytica	P-glycoprotein-2	0.0121	0.2068	0.2018
Trypanosoma cruzi	agmatinase, putative	0.0191	0.3431	1
Giardia lamblia	ABC transporter, putative	0.0038	0.0423	1
Brugia malayi	hypothetical protein	0.0038	0.0423	0.074
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0121	0.2068	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0397	0.0694
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0651	0.2985
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0063	0.0063
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Schistosoma mansoni	ap endonuclease	0.002	0.0063	0.0063
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0551	0.0551
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0038	0.0423	0.0411
Trichomonas vaginalis	ABC transporter, putative	0.0121	0.2068	0.2058
Loa Loa (eye worm)	hypothetical protein	0.021	0.3809	0.6657
Plasmodium falciparum	arginase	0.0524	1	1
Brugia malayi	N-terminal motif family protein	0.0189	0.3403	0.5947
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0383	0.0322
Brugia malayi	ABC transporter	0.0038	0.0423	0.074
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0063	0.005
Mycobacterium tuberculosis	Probable dehydrogenase	0.0113	0.1902	0.8837
Schistosoma mansoni	hypothetical protein	0.0097	0.1587	0.1587
Onchocerca volvulus		0.0121	0.2068	0.236
Brugia malayi	ABC transporter family protein	0.0121	0.2068	0.3615
Trypanosoma brucei	p-glycoprotein	0.0038	0.0423	0.1201
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.021	0.3809	0.3809
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0085	0.1345	0.1334
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0038	0.0423	0.0411
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0038	0.0423	0.1997
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0121	0.2068	1
Loa Loa (eye worm)	matrix metalloproteinase	0.0068	0.1023	0.1788
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0038	0.0423	0.0411
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0121	0.2068	0.2058
Trichomonas vaginalis	conserved hypothetical protein	0.0524	1	1
Brugia malayi	Matrixin family protein	0.0307	0.5722	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Echinococcus granulosus	multidrug resistance associated protein 1	0.0038	0.0423	0.0423
Trichomonas vaginalis	Arginase, putative	0.0524	1	1
Schistosoma mansoni	multidrug resistance protein	0.0038	0.0423	0.0423
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0063	0.0146
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0038	0.0423	0.0623
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0126	0.2151	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0423	0.074
Giardia lamblia	MRP-like ABC transporter	0.0038	0.0423	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Brugia malayi	Thioredoxin reductase	0.005	0.0651	0.1138
Plasmodium falciparum	glutathione reductase	0.005	0.0651	0.0639
Brugia malayi	multidrug resistance related protein 1	0.0038	0.0423	0.074
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0038	0.0423	0.0423
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Brugia malayi	ABC transporter transmembrane region family protein	0.0038	0.0423	0.074
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0378	0.0661
Leishmania major	pentamidine resistance protein 1	0.0038	0.0423	0.0411
Leishmania major	agmatinase-like protein	0.0191	0.3431	0.3423
Echinococcus multilocularis	multidrug resistance protein 1	0.0121	0.2068	0.2068
Echinococcus multilocularis	ATP binding cassette sub family B	0.0038	0.0423	0.0423
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0038	0.0423	0.1997
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0033	0.0325	0.1627
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0013	0.0022
Brugia malayi	ABC transporter family protein	0.0038	0.0423	0.074
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0038	0.0423	0.074
Plasmodium vivax	multidrug resistance protein 1, putative	0.0121	0.2068	0.2058
Plasmodium vivax	ABC transporter B family member 3, putative	0.0038	0.0423	0.0411
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0063	0.1218
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0082	0.1282	0.5935
Loa Loa (eye worm)	inositol-1	0.0036	0.0383	0.0669
Brugia malayi	MH2 domain containing protein	0.0241	0.443	0.7742
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0038	0.0423	0.0411
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0063	0.0234
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0038	0.0423	0.0411
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0038	0.0423	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1023	0.1788
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0121	0.2068	0.9614
Trichomonas vaginalis	ABC transporter, putative	0.0121	0.2068	0.2058
Trypanosoma cruzi	arginase, putative	0.0191	0.3431	1
Leishmania major	ATP-binding cassette protein subfamily B, member 3, putative	0.0038	0.0423	0.0411
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0063	0.0063
Echinococcus granulosus	ATP binding cassette sub family B	0.0037	0.0397	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0189	0.3403	0.5947
Loa Loa (eye worm)	transcription factor SMAD2	0.0241	0.443	0.7742
Plasmodium vivax	ABC transporter B family member 5, putative	0.0038	0.0423	0.0411
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0383	0.0383
Plasmodium vivax	ABC transporter B family member 6, putative	0.0038	0.0423	0.0411
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0121	0.2068	0.2068
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0113	0.1902	0.8837
Entamoeba histolytica	P-glycoprotein-1	0.0121	0.2068	0.2018
Giardia lamblia	Multidrug resistance-associated protein 1	0.0037	0.0397	0.9364
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0121	0.2068	0.2068
Loa Loa (eye worm)	hypothetical protein	0.012	0.2042	0.3569
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0058	0.0825	0.4232
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0551	0.0964
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0038	0.0423	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.0038	0.0423	0.0423
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0113	0.1902	0.8837
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.039	0.7365	0.7365
Echinococcus multilocularis	ATP binding cassette sub family B	0.0038	0.0423	0.0423
Entamoeba histolytica	P-glycoprotein-2	0.0121	0.2068	0.2018
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0383	0.18
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0038	0.0423	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6)	0.0037	0.0397	0.0397
Plasmodium vivax	ABC transporter B family member 7, putative	0.0038	0.0423	0.0411
Treponema pallidum	quinoline 2-oxidoreductase	0.0027	0.0215	0.9403
Echinococcus multilocularis	ATP binding cassette sub family B	0.012	0.2042	0.2042
Trypanosoma cruzi	ABC transporter, mitochondrial, putative	0.0038	0.0423	0.1201
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0126	0.2151	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0038	0.0423	0.0363
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0038	0.0423	0.0411
Entamoeba histolytica	P-glycoprotein-2, putative	0.0121	0.2068	0.2018
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Plasmodium falciparum	multidrug resistance protein 2	0.0038	0.0423	0.0411
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0063	0.2318
Plasmodium falciparum	thioredoxin reductase	0.005	0.0651	0.0639
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0038	0.0423	0.2138
Schistosoma mansoni	multidrug resistance protein	0.0038	0.0423	0.0423
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0551	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1023	0.1788
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0551	0.0551
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0383	0.0383
Giardia lamblia	Multidrug resistance-associated protein Mrp2	0.0037	0.0397	0.9364
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0121	0.2068	0.2068
Echinococcus multilocularis	ATP binding cassette sub family B	0.0038	0.0423	0.0423
Loa Loa (eye worm)	ABC transporter	0.0038	0.0423	0.074
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0383	0.1927
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0704	0.123
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0551	0.0551
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0082	0.1282	0.661
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0038	0.0423	0.0423
Mycobacterium tuberculosis	Probable oxidoreductase	0.0126	0.2151	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0121	0.2068	0.2058
Plasmodium vivax	multidrug resistance protein 2, putative	0.0038	0.0423	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2068	0.3615
Brugia malayi	ABC transporter family protein	0.0038	0.0423	0.074
Schistosoma mansoni	multidrug resistance protein	0.0121	0.2068	0.2068
Echinococcus granulosus	multidrug resistance protein 1	0.0121	0.2068	0.2068
Plasmodium vivax	arginase, putative	0.0524	1	1
Toxoplasma gondii	thioredoxin reductase	0.005	0.0651	0.3105
Leishmania major	arginase	0.0524	1	1
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0063	0.011
Entamoeba histolytica	P-glycoprotein 6, putative	0.0038	0.0423	0.0363
Plasmodium vivax	ABC transporter B family member 4, putative	0.0038	0.0423	0.0411
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0704	0.123
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0121	0.2068	0.2058
Leishmania major	trypanothione reductase	0.005	0.0651	0.0639
Entamoeba histolytica	P-glycoprotein-5	0.0121	0.2068	0.2018
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0063	0.1218
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0038	0.0423	0.0411
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0121	0.2068	0.3615
Schistosoma mansoni	multidrug resistance protein	0.0038	0.0423	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0397	0.0694
Entamoeba histolytica	ABC transporter, putative	0.0038	0.0423	0.0363
Entamoeba histolytica	P-glycoprotein 5, putative	0.0037	0.0397	0.0337
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0038	0.0423	0.0411
Loa Loa (eye worm)	matrixin family protein	0.0152	0.2666	0.466
Schistosoma mansoni	hypothetical protein	0.0036	0.0378	0.0378
Echinococcus multilocularis		0.0524	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0121	0.2068	0.2058
Schistosoma mansoni	multidrug resistance protein	0.0038	0.0423	0.0423
Echinococcus granulosus	multidrug resistance protein 1	0.0121	0.2068	0.2068
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0383	0.0383
Trypanosoma brucei	ABC transporter of the mitochondrion, putative	0.0038	0.0423	0.1201
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0121	0.2068	0.2058
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0083	0.1317	0.6102
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0051	0.0685	0.3501
Echinococcus multilocularis	multidrug resistance protein 1	0.0085	0.1345	0.1345
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0063	0.005
Brugia malayi	glutathione reductase	0.005	0.0651	0.1138
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0113	0.1902	0.8837
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0383	0.037
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0115	0.1932	1
Schistosoma mansoni	arginase	0.0524	1	1
Leishmania major	ATP-binding cassette protein subfamily B, member 1, putative	0.0038	0.0423	0.0411
Echinococcus granulosus	multidrug resistance associated protein 7	0.0038	0.0423	0.0423
Giardia lamblia	Multidrug resistance-associated protein 1	0.0038	0.0423	1
Toxoplasma gondii	ABC transporter family protein	0.0038	0.0423	0.1997
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0383	0.037
Entamoeba histolytica	P-glycoprotein-2, putative	0.0037	0.0397	0.0337
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0038	0.0423	0.192
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0038	0.0423	0.1201
Plasmodium vivax	glutathione reductase, putative	0.005	0.0651	0.0639
Leishmania major	ABC-thiol transporter	0.0038	0.0423	0.0411
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0551	0.0551
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0651	0.0651
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0121	0.2068	1
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0038	0.0423	0.1997
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0038	0.0423	0.0411
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0038	0.0423	0.074
Trichomonas vaginalis	ABC transporter, putative	0.0121	0.2068	0.2058
Giardia lamblia	Multidrug resistance-associated protein 1	0.0038	0.0423	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0121	0.2068	0.2068
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0038	0.0423	0.1201
Echinococcus multilocularis		0.0038	0.0423	0.0423
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.0058	0.0825	0.38
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0383	0.1082
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0082	0.1282	0.661
Echinococcus granulosus	ATP binding cassette sub family B	0.0038	0.0423	0.0423
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0038	0.0423	0.0411
Mycobacterium leprae	PROBABLE HYDROLASE	0.0083	0.1317	0.5476
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0121	0.2068	0.2058
Loa Loa (eye worm)	MH2 domain-containing protein	0.0241	0.443	0.7742
Onchocerca volvulus		0.0097	0.1587	0.1273
Loa Loa (eye worm)	ABC transporter	0.0038	0.0423	0.074
Schistosoma mansoni	multidrug resistance protein	0.0037	0.0397	0.0397
Trypanosoma cruzi	agmatinase, putative	0.0191	0.3431	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0121	0.2068	0.2058
Schistosoma mansoni	smdr1	0.0038	0.0423	0.0423
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0038	0.0423	0.0363
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0651	0.0651
Mycobacterium tuberculosis	Probable reductase	0.0113	0.1902	0.8837
Schistosoma mansoni	multidrug resistance protein	0.0121	0.2068	0.2068
Brugia malayi	ABC transporter transmembrane region family protein	0.0038	0.0423	0.074
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0063	0.005
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1317	0.2302
Giardia lamblia	Hypothetical protein	0.0037	0.0397	0.9364
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0551	0.0551
Echinococcus granulosus	multidrug resistance protein 1	0.0085	0.1345	0.1345
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0383	0.037
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0651	0.1138
Treponema pallidum	hypothetical protein	0.0028	0.0228	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0383	0.1082
Onchocerca volvulus	Matrilysin homolog	0.0293	0.5452	1
Trypanosoma brucei	multidrug resistance protein E	0.0038	0.0423	0.1201
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0038	0.0423	0.192
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0152	0.2666	0.371
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0121	0.2068	0.2068
Trichomonas vaginalis	abcb9, putative	0.0121	0.2068	0.2058
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0038	0.0423	0.1201
Toxoplasma gondii	ATP-binding cassette sub-family B member 5	0.0038	0.0423	0.1997
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0383	0.1082
Trichomonas vaginalis	abcb9, putative	0.0121	0.2068	0.2058
Trichomonas vaginalis	abcb9, putative	0.0121	0.2068	0.2058
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0033	0.0325	0.1627
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0013	0.0013
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0038	0.0423	0.0411
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0083	0.1317	0.2302
Echinococcus granulosus	ATP binding cassette sub family B	0.0038	0.0423	0.0423
Plasmodium falciparum	multidrug resistance protein 1	0.0121	0.2068	0.2058
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0308	0.1383
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0121	0.2068	0.2058
Echinococcus granulosus	multidrug resistance protein 1	0.0085	0.1345	0.1345
Brugia malayi	Matrixin family protein	0.0068	0.1023	0.1788
Trichomonas vaginalis	taga, putative	0.0121	0.2068	0.2058
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0038	0.0423	0.2138
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0551	0.0551
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0397	0.0385
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0121	0.2068	0.2068
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0037	0.0397	0.0385
Schistosoma mansoni	multidrug resistance protein	0.0038	0.0423	0.0423
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0038	0.0423	0.0363
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0058	0.0825	0.4232
Brugia malayi	Matrixin family protein	0.0068	0.1023	0.1788
Echinococcus multilocularis	multidrug resistance protein 1	0.0121	0.2068	0.2068
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0038	0.0423	0.1201
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0383	0.0383
Trypanosoma cruzi	ABC transporter of the mitochondrion, putative	0.0038	0.0423	0.1201
Brugia malayi	ABC transporter transmembrane region family protein	0.0037	0.0397	0.0694
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0038	0.0423	0.1997
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0121	0.2068	0.2058
Treponema pallidum	hypothetical protein	0.0023	0.0131	0.5467
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0651	0.1867
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0121	0.2068	0.2058
Trichomonas vaginalis	aldehyde oxidase, putative	0.0173	0.3083	0.3075
Brugia malayi	Hemopexin family protein	0.0097	0.1587	0.2773
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0121	0.2068	0.2068
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0038	0.0423	0.2138
Brugia malayi	Matrixin family protein	0.0068	0.1023	0.1788
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0423	0.074
Entamoeba histolytica	P-glycoprotein 5, putative	0.0121	0.2068	0.2018

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 7.8 uM	Cytotoxicity against human K562-Tax cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 14 uM	Cytotoxicity against human K562 cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 31.8 uM	Cytotoxicity against human CEM cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 38.7 uM	Cytotoxicity against human HT29 cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 42.8 uM	Cytotoxicity against human HCT116 cells expressing wild type p53 after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 44.4 uM	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 46.3 uM	Cytotoxicity against human HCT116 cells expressing mutant p53 after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 51.6 uM	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 54.3 uM	Cytotoxicity against human U118Mg cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 110.9 uM	Cytotoxicity against human CEM-DNR bulk cells after 72 hrs by MTT assay	ChEMBL.	18272255
IC50 (functional)	= 145.3 uM	Cytotoxicity against human PC3 cells after 72 hrs by MTT assay	ChEMBL.	18272255

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	18272255

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL465886

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1591600