TDR Targets

Basic information

Technical information

TDR Targets ID: 1392912
Name: methyl 2-(1,3-benzodioxole-5-carbonylamino)-1 -oxoisoquinoline-4-carboxylate
MW: 366.324 | Formula: C19H14N2O6
H donors: 1 H acceptors: 3 LogP: 2.07 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1cn(NC(=O)c2ccc3c(c2)OCO3)c(=O)c2c1cccc2
InChi: 1S/C19H14N2O6/c1-25-19(24)14-9-21(18(23)13-5-3-2-4-12(13)14)20-17(22)11-6-7-15-16(8-11)27-10-26-15/h2-9H,10H2,1H3,(H,20,22)
InChiKey: NGNSWKMXWZYEFX-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

methyl 2-(1,3-benzodioxole-5-carbonylamino)-1-oxo-isoquinoline-4-carboxylate
2-[(1,3-benzodioxol-5-yl-oxomethyl)amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester
2-(1,3-benzodioxole-5-carbonylamino)-1-keto-isoquinoline-4-carboxylic acid methyl ester
methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)-1-oxo-isoquinoline-4-carboxylate
methyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
MLS000044463
SMR000022240

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	snurportin 1		No references
Homo sapiens	karyopherin (importin) beta 1		No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium yoelii	importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium berghei	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma mansoni	importin beta-1	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Trypanosoma brucei gambiense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Neospora caninum	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium vivax	importin-beta 2, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania major	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium falciparum	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Importin subunit beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	Get druggable targets OG5_131808	All targets in OG5_131808
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Cryptosporidium hominis	importin-beta2	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Theileria parva	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Importin subunit beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium knowlesi	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	Importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Snurportin-1, putative	Get druggable targets OG5_131808	All targets in OG5_131808
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Trichomonas vaginalis	importin beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Cryptosporidium parvum	importin/karyopherin	Get druggable targets OG5_127843	All targets in OG5_127843
Babesia bovis	importin beta subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania infantum	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Brugia malayi	RNA, U transporter 1	Get druggable targets OG5_131808	All targets in OG5_131808
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania mexicana	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania donovani	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma cruzi	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_131808	All targets in OG5_131808
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Trypanosoma congolense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Toxoplasma gondii	HEAT repeat-containing protein	Get druggable targets OG5_127843	All targets in OG5_127843

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0162	0.1645	0.4109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0342	0.365	0.9145
Echinococcus multilocularis	cysteine protease	0.0045	0.0337	0.0273
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0337	0.0923
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Onchocerca volvulus		0.0342	0.365	1
Echinococcus granulosus	cathepsin l1	0.0045	0.0337	0.0691
Plasmodium vivax	vivapain-3	0.0023	0.0093	0.0254
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0162	0.1645	0.4508
Mycobacterium tuberculosis	Probable oxidoreductase	0.0342	0.365	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0045	0.0337	0.0273
Mycobacterium ulcerans	hypothetical protein	0.0342	0.365	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0162	0.1645	0.4508
Schistosoma mansoni	potassium channel beta	0.0342	0.365	0.9159
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Mycobacterium ulcerans	oxidoreductase	0.0342	0.365	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Loa Loa (eye worm)	oxidoreductase	0.0342	0.365	0.9159
Trypanosoma cruzi	aldo-keto reductase	0.0342	0.365	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0342	0.365	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.0777	0.1557
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0067	0.0579	0.1432
Brugia malayi	Augmenter of liver regeneration	0.0039	0.0264	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0286	0.3023	0.7585
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0067	0.0579	0.1432
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0162	0.1645	0.3022
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0093	0.0076
Schistosoma mansoni	aldo-keto reductase	0.0342	0.365	0.9159
Trypanosoma cruzi	cysteine proteinase, putative	0.0023	0.0093	0.0254
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0067	0.0579	0.1432
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0023	0.0093	0.0233
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0342	0.365	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0045	0.0337	0.0273
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0247	0.0678
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Trypanosoma brucei	aldo/keto reductase, putative	0.0342	0.365	1
Schistosoma mansoni	hypothetical protein	0.0058	0.0484	0.1215
Echinococcus multilocularis	snurportin 1	0.0372	0.3985	0.3945
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0063	0.0541	0.1326
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Leishmania major	cysteine peptidase A (CPA)	0.0045	0.0337	0.0756
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0149	0.0232
Echinococcus granulosus	hypothetical protein	0.0342	0.365	0.9145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.017	0.0292
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0162	0.1645	0.4508
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0223	0.0438
Schistosoma mansoni	ran	0.0021	0.0066	0.0165
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.0777	0.1557
Loa Loa (eye worm)	cysteine protease	0.0045	0.0337	0.0845
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0247	0.0621
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0039	0.0264	0.0552
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0337	0.0923
Leishmania major	trypanothione reductase	0.0037	0.0247	0.0507
Trypanosoma cruzi	cysteine protease, putative	0.0023	0.0093	0.0254
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0162	0.1645	0.4508
Schistosoma mansoni	aldo-keto reductase	0.0342	0.365	0.9159
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Giardia lamblia	Aldose reductase	0.0342	0.365	1
Echinococcus multilocularis	aldo keto reductase	0.0342	0.365	0.3608
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0162	0.1645	0.4407
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Entamoeba histolytica	cysteine proteinase 1, putative	0.0023	0.0093	0.0076
Mycobacterium leprae	Possible oxidoreductase	0.0342	0.365	1
Onchocerca volvulus		0.0342	0.365	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Loa Loa (eye worm)	oxidoreductase	0.0342	0.365	0.9159
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0039	0.0264	0.0552
Echinococcus granulosus	cathepsin L	0.0023	0.0093	0.0069
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0162	0.1645	0.4129
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0093	0.0254
Brugia malayi	Cathepsin L-like precursor	0.003	0.017	0.0467
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trypanosoma cruzi	aldo/keto reductase, putative	0.0342	0.365	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0093	0.0076
Leishmania major	prostaglandin f synthase, putative	0.0342	0.365	1
Onchocerca volvulus		0.0045	0.0337	0.0478
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0162	0.1645	0.4508
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0162	0.1645	0.4508
Schistosoma mansoni	hypothetical protein	0.0372	0.3985	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Entamoeba histolytica	aldose reductase, putative	0.0342	0.365	1
Echinococcus granulosus	snurportin 1	0.0372	0.3985	1
Plasmodium falciparum	aldehyde reductase, putative	0.0342	0.365	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0342	0.365	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0066	0.018
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Brugia malayi	Thioredoxin reductase	0.0037	0.0247	0.0678
Onchocerca volvulus	Cathepsin L homolog	0.0045	0.0337	0.0478
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.0883	0.0367
Plasmodium vivax	vivapain-2	0.0045	0.0337	0.0923
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.0777	0.1557
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0337	0.0923
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0067	0.0579	0.0517
Brugia malayi	Papain family cysteine protease containing protein	0.0045	0.0337	0.0923
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0045	0.0337	0.0845
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Echinococcus multilocularis	aldo keto reductase	0.0342	0.365	0.3608
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0162	0.1645	0.5
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0484	0.1215
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0045	0.0337	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0342	0.365	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0093	0.0076
Echinococcus granulosus	aldo keto reductase	0.0342	0.365	0.9145
Onchocerca volvulus		0.0342	0.365	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0045	0.0337	0.0756
Brugia malayi	Zinc finger, C2H2 type family protein	0.0063	0.0541	0.1482
Brugia malayi	Importin beta-1 subunit	0.0035	0.0223	0.061
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0149	0.0232
Toxoplasma gondii	aldo-keto reductase	0.0342	0.365	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0484	0.1326
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Leishmania major	aldo-keto reductase-like protein	0.0342	0.365	1
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.3023	0.7545
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0066	0.018
Leishmania major	hypothetical protein, conserved	0.0039	0.0264	0.0552
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0063	0.0541	0.1326
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0045	0.0337	0.0756
Trypanosoma cruzi	cysteine proteinase, putative	0.0023	0.0093	0.0254
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0342	0.365	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0063	0.0541	0.1482
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0342	0.365	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Echinococcus multilocularis	cathepsin L cysteine protease	0.0045	0.0337	0.0273
Schistosoma mansoni	importin beta-1	0.0035	0.0223	0.0558
Loa Loa (eye worm)	oxidoreductase	0.0342	0.365	0.9159
Onchocerca volvulus		0.0045	0.0337	0.0478
Loa Loa (eye worm)	fibroinase	0.0045	0.0337	0.0845
Echinococcus multilocularis	aldo keto reductase	0.0342	0.365	0.3608
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.0337	0.0756
Giardia lamblia	Aldose reductase	0.0342	0.365	1
Brugia malayi	cathepsin L-like precursor	0.003	0.017	0.0467
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Toxoplasma gondii	cathepsin CPL	0.0045	0.0337	0.0756
Trypanosoma brucei	trypanothione reductase	0.0037	0.0247	0.0507
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Schistosoma mansoni	pol-related	0.0342	0.365	0.9159
Plasmodium falciparum	importin beta, putative	0.0035	0.0223	0.0438
Mycobacterium tuberculosis	Conserved protein	0.0342	0.365	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.0777	0.1557
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0149	0.0408
Leishmania major	dihydroorotate dehydrogenase	0.0162	0.1645	0.4407
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0039	0.0264	0.0723
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.0777	0.1557
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0337	0.0923
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0023	0.0093	0.0233
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0039	0.0264	0.0723
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0223	0.0158
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0039	0.0264	0.0723
Onchocerca volvulus		0.0058	0.0484	0.0902
Plasmodium vivax	unspecified product	0.0023	0.0093	0.0254
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0337	0.0923
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0093	0.0076
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0337	0.0923
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0342	0.365	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0342	0.365	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Entamoeba histolytica	aldose reductase, putative	0.0342	0.365	1
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0337	0.0923
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0247	0.0507
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0342	0.365	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0066	0.018
Onchocerca volvulus	Cathepsin L homolog	0.0045	0.0337	0.0478
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0337	0.0923
Loa Loa (eye worm)	hypothetical protein	0.003	0.017	0.0428
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0247	0.0678
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Onchocerca volvulus		0.0045	0.0337	0.0478
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0342	0.365	1
Brugia malayi	NADH-dependent xylose reductase	0.0342	0.365	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0223	0.0558
Echinococcus multilocularis	aldo keto reductase	0.0342	0.365	0.3608
Onchocerca volvulus		0.0045	0.0337	0.0478
Trichomonas vaginalis	conserved hypothetical protein	0.0342	0.365	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0045	0.0337	0.0923
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0342	0.365	1
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0247	0.0621
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0045	0.0337	0.0756
Brugia malayi	Cathepsin L-like cysteine proteinase	0.003	0.017	0.0467
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0063	0.0541	0.1326
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0093	0.0076
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0342	0.365	1
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0093	0.0254
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0342	0.365	0.9159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0093	0.0076
Echinococcus granulosus	cysteine protease	0.0023	0.0093	0.0069
Echinococcus granulosus	aldo keto reductase	0.0342	0.365	0.9145
Trypanosoma brucei	prostaglandin f synthase	0.0342	0.365	1
Loa Loa (eye worm)	oxidoreductase	0.0342	0.365	0.9159
Onchocerca volvulus	Cathepsin F homolog	0.0045	0.0337	0.0478
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0067	0.0579	0.131
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0039	0.0264	0.0505
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0342	0.365	1
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0039	0.0264	0.0723
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0149	0.0232
Loa Loa (eye worm)	oxidoreductase	0.0342	0.365	0.9159
Brugia malayi	RNA, U transporter 1	0.0099	0.094	0.2574
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0337	0.0923
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Onchocerca volvulus		0.0342	0.365	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0342	0.365	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0039	0.0264	0.0552
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0063	0.0541	0.1326
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0223	0.0438
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Onchocerca volvulus		0.0045	0.0337	0.0478
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0247	0.0507
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0039	0.0264	0.0199
Trypanosoma cruzi	aldo/keto reductase, putative	0.0342	0.365	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0342	0.365	1
Plasmodium vivax	aldehyde reductase, putative	0.0342	0.365	1
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0223	0.061
Plasmodium falciparum	glutathione reductase	0.0037	0.0247	0.0507
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.0337	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0337	0.0845
Plasmodium falciparum	aldo-keto reductase, putative	0.0342	0.365	1
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0162	0.1645	0.4407
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0045	0.0337	0.0845
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Loa Loa (eye worm)	ctsf protein	0.0045	0.0337	0.0845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Mycobacterium tuberculosis	Probable reductase	0.0084	0.0777	0.1557
Brugia malayi	Cathepsin L-like precursor	0.003	0.017	0.0467
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Echinococcus granulosus	aldo keto reductase	0.0342	0.365	0.9145
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Loa Loa (eye worm)	hypothetical protein	0.003	0.017	0.0428
Toxoplasma gondii	Erv1 / Alr family protein	0.0039	0.0264	0.0552
Brugia malayi	hypothetical protein	0.0286	0.3023	0.8281
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0337	0.0923
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0247	0.0678
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.3985	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.0337	0.0845
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.0883	0.1867
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.017	0.0292
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0093	0.0254
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0149	0.0232
Toxoplasma gondii	aldose reductase, putative	0.0342	0.365	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine protease, putative	0.0045	0.0337	0.0756
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0067	0.0579	0.131
Onchocerca volvulus		0.0342	0.365	1
Brugia malayi	glutathione reductase	0.0037	0.0247	0.0678
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0342	0.365	0.3608
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0023	0.0093	0.0254
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0342	0.365	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0337	0.0756
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0023	0.0093	0.0233
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0342	0.365	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0045	0.0337	0.0691
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0045	0.0337	0.0273
Entamoeba histolytica	cysteine proteinase 2	0.0023	0.0093	0.0076
Entamoeba histolytica	aldose reductase, putative	0.0342	0.365	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0067	0.0579	0.0517
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0337	0.0756
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Entamoeba histolytica	hypothetical protein	0.0028	0.0149	0.0232
Echinococcus granulosus	cathepsin L cysteine protease	0.0023	0.0093	0.0069
Trypanosoma brucei	aldo-keto reductase, putative	0.0342	0.365	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0223	0.0438
Schistosoma mansoni	ran	0.0021	0.0066	0.0165
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0342	0.365	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0342	0.365	0.9145
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0066	0.0165
Onchocerca volvulus		0.0342	0.365	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0342	0.365	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0253	0.0477
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0023	0.0093	0.0076
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.017	0.0292
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0093	0.0076
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.0883	0.1867
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Onchocerca volvulus		0.0045	0.0337	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0342	0.365	0.9159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0045	0.0337	0.0756
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0223	0.04
Echinococcus multilocularis	cathepsin L	0.0023	0.0093	0.0027
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0253	0.0188
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Onchocerca volvulus		0.0342	0.365	1
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.017	0.0428
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.0883	0.1867
Echinococcus multilocularis	cysteine protease	0.0045	0.0337	0.0273
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0342	0.365	0.3608
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.003	0.017	0.0467
Trichomonas vaginalis	aldo/keto reductase, putative	0.0342	0.365	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0342	0.365	1
Onchocerca volvulus		0.0045	0.0337	0.0478
Loa Loa (eye worm)	hypothetical protein	0.003	0.017	0.0428
Leishmania major	cathepsin L-like protease	0.0045	0.0337	0.0756
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0093	0.0076
Echinococcus granulosus	cathepsin l1	0.003	0.017	0.0267
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0045	0.0337	0.0756
Plasmodium vivax	vivapain-1	0.0023	0.0093	0.0254
Loa Loa (eye worm)	hepatopoietin HPO2	0.0039	0.0264	0.0662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0337	0.0756
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0342	0.365	0.9145
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0342	0.365	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0093	0.0076
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0066	0.018
Plasmodium vivax	vivapain-2	0.0045	0.0337	0.0923
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0162	0.1645	0.4407
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.3023	0.2977

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0141 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	= 0.1122 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1531166

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1392912