TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 312.75 | Formula: C17H13ClN2O2
H donors: 2 H acceptors: 3 LogP: 4.09 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#C/C(=C(/O)\C)/C(=O)Nc1ccc(cc1)c1ccccc1Cl
InChi: 1S/C17H13ClN2O2/c1-11(21)15(10-19)17(22)20-13-8-6-12(7-9-13)14-4-2-3-5-16(14)18/h2-9,21H,1H3,(H,20,22)/b15-11-
InChiKey: LPTUTTULCBOUPL-PTNGSMBKSA-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

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	dihydroorotate dehydrogenase	Starlite/ChEMBL	References
Homo sapiens	dihydroorotate dehydrogenase (quinone)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Neospora caninum	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Candida albicans	likely dihydroorotate oxidase similar to S. pombe ura3 (SPAC57A10.12c) and to S. cerevisiae URA1 (YKL216W) involved in pyrimidin	Get druggable targets OG5_127289	All targets in OG5_127289
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Leishmania braziliensis	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Leishmania mexicana	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	Get druggable targets OG5_127289	All targets in OG5_127289
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Candida albicans	likely dihydroorotate oxidase similar to S. pombe ura3 (SPAC57A10.12c) and to S. cerevisiae URA1 (YKL216W) involved in pyrimidin	Get druggable targets OG5_127289	All targets in OG5_127289
Trypanosoma brucei gambiense	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Leishmania donovani	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Schistosoma mansoni	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Trypanosoma congolense	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Schistosoma japonicum	ko:K00226 dihydroorotate oxidase [EC1.3.3.1], putative	Get druggable targets OG5_127289	All targets in OG5_127289
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	Get druggable targets OG5_127289	All targets in OG5_127289
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	Get druggable targets OG5_127289	All targets in OG5_127289
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	Get druggable targets OG5_127289	All targets in OG5_127289
Babesia bovis	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Plasmodium knowlesi	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Plasmodium yoelii	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Leishmania major	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Leishmania infantum	dihydroorotate dehydrogenase;with=GeneDB:LmjF16.0530	Get druggable targets OG5_127289	All targets in OG5_127289
Theileria parva	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	Get druggable targets OG5_127289	All targets in OG5_127289
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	Get druggable targets OG5_127289	All targets in OG5_127289
Plasmodium berghei	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Plasmodium falciparum	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	dihydroorotate dehydrogenase (quinone)	395 aa	361 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0061	0.0329	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0004	0.0051
Leishmania major	mitochondrial DNA polymerase beta	0.0299	0.201	0.7374
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0053	0.0178
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0057	0.0211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0057	0.0195
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0596	0.0592
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0657	0.2342
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.0265	0.3208
Plasmodium vivax	vivapain-2	0.0023	0.0057	0.0144
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.04	0.2724	1
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0657	0.2342
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0015	0.0006	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0004	0.0051
Entamoeba histolytica	hypothetical protein	0.0075	0.0427	0.4246
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.0897	0.3278
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.009	0.1085
Trypanosoma cruzi	cruzipain precursor, putative	0.0023	0.0057	0.0195
Plasmodium falciparum	dihydroorotate dehydrogenase	0.04	0.2724	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0151	0.1349
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0151	0.0147
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0018	0.0223
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0158	0.101	0.3665
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0004	0.0015
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0057	0.0053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0025	0.007
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0023	0.0057	0.0695
Brugia malayi	calpain 7	0.0022	0.0053	0.0194
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0156	0.1001	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0025	0.0212
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0057	0.0211
Loa Loa (eye worm)	ctsf protein	0.0023	0.0057	0.0695
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0018	0.0052
Brugia malayi	cathepsin L-like precursor	0.0015	0.0004	0.0015
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0057	0.0396
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0057	0.0211
Onchocerca volvulus		0.0023	0.0057	0.0814
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0057	0.0814
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.04	0.2724	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0259	0.0936
Mycobacterium ulcerans	transglutaminase family protein	0.0108	0.0657	0.2342
Schistosoma mansoni	dihydroorotate dehydrogenase	0.04	0.2724	0.2721
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0025	0.0212
Schistosoma mansoni	calpain-7 (C02 family)	0.0022	0.0053	0.0049
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0057	0.0534
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0173
Giardia lamblia	Transglutaminase/protease, putative	0.0108	0.0657	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0596	0.5885
Entamoeba histolytica	hypothetical protein	0.0075	0.0427	0.4246
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0194	0.0697
Onchocerca volvulus		0.0023	0.0057	0.0814
Schistosoma mansoni	hypothetical protein	0.0108	0.0657	0.0654
Echinococcus granulosus	Transglutaminase	0.0108	0.0657	0.6556
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0427	0.4163
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0025	0.0025
Echinococcus multilocularis	lamin	0.0027	0.009	0.0725
Brugia malayi	calpain family protein 1	0.0059	0.0311	0.114
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0025	0.0025
Echinococcus multilocularis	hypothetical protein	0.0022	0.0053	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0154	0.1869
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0194	0.0692
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0023	0.0057	0.0144
Brugia malayi	intermediate filament protein	0.0027	0.009	0.0329
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0151	0.054
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0023	0.0057	0.0144
Echinococcus multilocularis	lamin dm0	0.0027	0.009	0.0725
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0156	0.1001	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0057	0.0195
Brugia malayi	Papain family cysteine protease containing protein	0.0023	0.0057	0.0211
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0178
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0053	0.0178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0053	0.0173
Trichomonas vaginalis	peptide N-glycanase, putative	0.0108	0.0657	0.6556
Echinococcus granulosus	cathepsin l1	0.0023	0.0057	0.0534
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0053	0.0173
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0311	0.0307
Brugia malayi	calpain 5	0.0015	0.0006	0.0021
Onchocerca volvulus	Cathepsin F homolog	0.0023	0.0057	0.0814
Loa Loa (eye worm)	calpain	0.0022	0.0053	0.0639
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0151	0.0466
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0156	0.1001	1
Plasmodium vivax	vivapain-2	0.0023	0.0057	0.0144
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0596	0.5943
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0018	0.0052
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0022	0.0053	0.0173
Loa Loa (eye worm)	cysteine protease	0.0023	0.0057	0.0695
Mycobacterium tuberculosis	Long conserved protein	0.0108	0.0657	0.2362
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0151	0.1473
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0025	0.0025
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0299	0.201	0.7376
Toxoplasma gondii	exonuclease III APE	0.0018	0.0025	0.0025
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.0826	1
Onchocerca volvulus		0.0023	0.0057	0.0814
Onchocerca volvulus		0.0027	0.009	0.1308
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0108	0.0657	0.2362
Plasmodium vivax	calpain, putative	0.0022	0.0053	0.0127
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Trypanosoma cruzi	kinesin, putative	0.0015	0.0006	0.0006
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0108	0.0657	0.2342
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.04	0.2724	1
Leishmania major	cysteine peptidase A (CPA)	0.0023	0.0057	0.019
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0299	0.201	0.7374
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.04	0.2724	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.0596	0.5885
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0086	0.1042
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0173
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.009	0.1085
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0023	0.0057	0.0695
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0151	0.0466
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0178
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0004	0.0015
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0018	0.0047
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0178
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0194	0.0697
Brugia malayi	calpain family protein 1	0.0059	0.0311	0.114
Entamoeba histolytica	hypothetical protein	0.0075	0.0427	0.4246
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.0897	0.3282
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0004	0.0051
Echinococcus granulosus	lamin dm0	0.0027	0.009	0.0857
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0151	0.0534
Loa Loa (eye worm)	inositol-1	0.0036	0.0151	0.1828
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0057	0.0053
Onchocerca volvulus		0.0108	0.0657	1
Schistosoma mansoni	calpain (C02 family)	0.0022	0.0053	0.0049
Brugia malayi	MH2 domain containing protein	0.0132	0.0826	0.3033
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Onchocerca volvulus	Cathepsin L homolog	0.0023	0.0057	0.0814
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Schistosoma mansoni	ap endonuclease	0.0018	0.0025	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0264	0.3191
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Echinococcus multilocularis	cysteine protease	0.0023	0.0057	0.0396
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.009	0.0329
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0194	0.0697
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.04	0.2724	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0053	0.0178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0057	0.0534
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0025	0.0212
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Mycobacterium leprae	Conserved hypothetical protein	0.0108	0.0657	0.2051
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0057	0.0211
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.04	0.2724	1
Mycobacterium ulcerans	hypothetical protein	0.0158	0.101	0.3649
Mycobacterium leprae	Conserved hypothetical protein	0.0108	0.0657	0.2051
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0025	0.0093
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.04	0.2724	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0427	0.4246
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Echinococcus multilocularis	Transglutaminase	0.0108	0.0657	0.6506
Onchocerca volvulus		0.0023	0.0057	0.0814
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0053	0.0173
Echinococcus multilocularis	calpain A	0.0061	0.0329	0.3165
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0657	0.2362
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0151	0.1473
Echinococcus granulosus	calpain	0.0022	0.0053	0.0487
Entamoeba histolytica	cysteine protease, putative	0.0023	0.0057	0.0534
Mycobacterium tuberculosis	Hypothetical protein	0.0108	0.0657	0.2362
Schistosoma mansoni	ap endonuclease	0.0018	0.0025	0.0021
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0156	0.1001	1
Echinococcus multilocularis	cysteine protease	0.0023	0.0057	0.0396
Schistosoma mansoni	calpain-7 (C02 family)	0.0022	0.0053	0.0049
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0108	0.0657	0.2362
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0025	0.0306
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0156	0.1001	0.3664
Schistosoma mansoni	lamin	0.0027	0.009	0.0085
Loa Loa (eye worm)	calpain family protein 1	0.0059	0.0311	0.376
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0004	0.0015
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0053	0.0178
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.04	0.2724	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.0596	0.2189
Giardia lamblia	Hypothetical protein	0.0108	0.0657	1
Echinococcus granulosus	calpain A	0.0022	0.0053	0.0487
Loa Loa (eye worm)	calpain family protein 1	0.0043	0.0201	0.2438
Echinococcus granulosus	calpain A	0.0061	0.0329	0.3263
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0022	0.0053	0.0178
Echinococcus multilocularis	calpain 7 (C02 family)	0.0022	0.0053	0.0349
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0311	0.376
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0151	0.1473
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0057	0.0534
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0023	0.0057	0.0534
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0156	0.1001	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0018	0.0047
Echinococcus multilocularis	calpain family protein 1, d	0.0043	0.0201	0.1862
Echinococcus multilocularis	calpain	0.0022	0.0053	0.0349
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.0826	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.0596	0.722
Echinococcus granulosus	calpain 5	0.0022	0.0053	0.0487
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0025	0.0078
Brugia malayi	hypothetical protein	0.0075	0.0427	0.1569
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Onchocerca volvulus		0.0023	0.0057	0.0814
Echinococcus granulosus	calpain 7 C02 family	0.0022	0.0053	0.0487
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0057	0.0695
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0025	0.0072
Brugia malayi	Cytochrome P450 family protein	0.0052	0.0265	0.0973
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0151	0.049
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0201	0.2438
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0057	0.0195
Brugia malayi	Thioredoxin family protein	0.0108	0.0657	0.2413
Loa Loa (eye worm)	fibroinase	0.0023	0.0057	0.0695
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.04	0.2724	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Entamoeba histolytica	hypothetical protein	0.0075	0.0427	0.4246
Leishmania major	cathepsin L-like protease	0.0023	0.0057	0.019
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.04	0.2724	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.04	0.2724	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0156	0.1001	1
Toxoplasma gondii	cathepsin CPL	0.0023	0.0057	0.0144
Schistosoma mansoni	hypothetical protein	0.0075	0.0427	0.0423
Onchocerca volvulus		0.0023	0.0057	0.0814
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0156	0.1001	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0023	0.0057	0.0534
Leishmania major	dihydroorotate dehydrogenase	0.04	0.2724	1
Onchocerca volvulus		0.0027	0.009	0.1308
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.0596	0.5943
Toxoplasma gondii	hypothetical protein	0.0048	0.0237	0.081
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0057	0.0396
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0018	0.0143
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0057	0.0211
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0124	0.0391
Echinococcus granulosus	lamin	0.0027	0.009	0.0857
Trypanosoma cruzi	kinesin, putative	0.0015	0.0006	0.0006
Brugia malayi	Zinc finger, C2H2 type family protein	0.0156	0.1001	0.3673
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0061	0.0329	0.3165
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0025	0.0212
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0061	0.0329	0.3263
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0596	0.0592
Echinococcus multilocularis	musashi	0.0027	0.009	0.0725
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0025	0.0078
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0025	0.5
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0061	0.0329	0.0325
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0022	0.0053	0.0178
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0023	0.0057	0.0534
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0151	0.0534
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0156	0.1001	1
Schistosoma mansoni	lamin	0.0027	0.009	0.0085
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.0897	0.3278
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0427	0.0423
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.0596	0.0592
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0018	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0027	0.009	0.1085
Loa Loa (eye worm)	calpain 5	0.0015	0.0006	0.007
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0023	0.0057	0.0534
Trypanosoma brucei	antigen, putative	0.0022	0.0053	0.0173
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0151	0.1473
Echinococcus multilocularis	cathepsin L cysteine protease	0.0023	0.0057	0.0396
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0156	0.1001	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0151	0.054
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0156	0.1001	1
Schistosoma mansoni	calpain C (C02 family)	0.0022	0.0053	0.0049
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0023	0.0057	0.0396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0022	0.0053	0.0049
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0023	0.0057	0.0144
Entamoeba histolytica	protein kinase, putative	0.0015	0.0006	0.0016
Trypanosoma brucei	calpain-like protein, putative	0.0022	0.0053	0.0173
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0299	0.201	0.7376
Echinococcus multilocularis	calpain 5	0.0022	0.0053	0.0349
Trypanosoma cruzi	cysteine peptidase, putative	0.0023	0.0057	0.0195
Onchocerca volvulus		0.0036	0.0154	0.2299
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.04	0.2724	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0173
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0173
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0018	0.0068
Onchocerca volvulus		0.0023	0.0057	0.0814
Schistosoma mansoni	intermediate filament proteins	0.0027	0.009	0.0085
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0018	0.0068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0057	0.0534
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0151	0.1473
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0025	0.0072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0023	0.0057	0.019
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0022	0.0053	0.0178
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0057	0.0211
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.026	0.1734	0.173
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0018	0.0047
Echinococcus granulosus	intermediate filament protein	0.0027	0.009	0.0857
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0156	0.1001	1
Brugia malayi	Inositol-1	0.0036	0.0151	0.0554
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0151	0.0147

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.13 uM	Inhibition of ubiquinone binding site of human dihydroorotate dehydrogenase	ChEMBL.	19351152
IC50 (binding)	= 47.4 uM	Inhibition of ubiquinone binding site of Plasmodium falciparum dihydroorotate dehydrogenase	ChEMBL.	19351152
Ki (binding)	= 0.016 uM	Inhibition of ubiquinone binding site of human dihydroorotate dehydrogenase	ChEMBL.	19351152
Ki (binding)	= 5.6 uM	Inhibition of ubiquinone binding site of Plasmodium falciparum dihydroorotate dehydrogenase	ChEMBL.	19351152

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL484531

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 985096