TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 263.291 | Formula: C17H13NO2
H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(c(c1)O)/C=N/c1cccc2c1cccc2
InChi: 1S/C17H13NO2/c19-14-9-8-13(17(20)10-14)11-18-16-7-3-5-12-4-1-2-6-15(12)16/h1-11,19-20H/b18-11+
InChiKey: RJBRMIUDYFYKSS-WOJGMQOQSA-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
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	dihydroorotate dehydrogenase (quinone)	Starlite/ChEMBL	References
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	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
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
Leishmania braziliensis	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
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
Mycobacterium leprae	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
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	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
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Babesia bovis	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania donovani	dihydroorotate dehydrogenase	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
Leishmania mexicana	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	Get druggable targets OG5_127289	All targets in OG5_127289
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trypanosoma brucei gambiense	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
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
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	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
Schistosoma mansoni	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Leishmania infantum	dihydroorotate dehydrogenase;with=GeneDB:LmjF16.0530	Get druggable targets OG5_127289	All targets in OG5_127289
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Neospora caninum	dihydroorotate dehydrogenase, 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
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Plasmodium yoelii	dihydroorotate dehydrogenase, putative	Get druggable targets OG5_127289	All targets in OG5_127289
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Plasmodium falciparum	dihydroorotate dehydrogenase	Get druggable targets OG5_127289	All targets in OG5_127289
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Leishmania major	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
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K00226 dihydroorotate oxidase [EC1.3.3.1], putative	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 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0306	0.0833
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0037	0.0563	0.0608
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.6586	1
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0306	0.0276
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.6586	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0012	0.0092	0.0044
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0078	0.1351	0.1409
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.02	0.3674	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0306	0.0833
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.02	0.3674	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0078	0.1351	0.134
Trichomonas vaginalis	glucosylceramidase, putative	0.0532	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0532	1	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.6586	0.5
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0078	0.1351	0.134
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.9272	1
Echinococcus multilocularis	cpg binding protein	0.0037	0.0561	0.0552
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0078	0.1351	0.3676
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.02	0.3674	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0563	0.0563
Brugia malayi	F/Y-rich N-terminus family protein	0.0012	0.0089	0.0089
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.6586	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0037	0.0563	0.1534
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0306	0.0306
Plasmodium falciparum	dihydroorotate dehydrogenase	0.02	0.3674	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.3147	0.8566
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.02	0.3674	0.3674
Schistosoma mansoni	hypothetical protein	0.0494	0.9272	1
Trypanosoma brucei	unspecified product	0.0023	0.0306	0.0833
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.02	0.3674	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0532	1	1
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.9272	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0306	0.0276
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0078	0.1351	0.134
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.02	0.3674	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0561	0.0552
Schistosoma mansoni	cpg binding protein	0.0037	0.0561	0.0605
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0306	0.0833
Leishmania major	dihydroorotate dehydrogenase	0.02	0.3674	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0075	0.1289	0.139
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.3147	0.8435
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0078	0.1351	0.134
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0306	0.0295
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0523	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0306	0.0306
Brugia malayi	Pre-SET motif family protein	0.0252	0.4664	0.4664
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.02	0.3674	0.5
Brugia malayi	Pre-SET motif family protein	0.0037	0.0563	0.0563
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0078	0.1351	0.134
Schistosoma mansoni	cpg binding protein	0.0035	0.0523	0.0564
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0306	0.033
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0012	0.0092	0.0044
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0037	0.0563	0.0555
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0306	0.0276
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0306	0.0833
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0523	0.0523
Trichomonas vaginalis	glucosylceramidase, putative	0.0532	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0037	0.0563	0.0608
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0078	0.1351	0.1409
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.02	0.3674	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Onchocerca volvulus		0.0037	0.0563	0.0068
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	glucosylceramidase, putative	0.0368	0.6872	0.6868
Onchocerca volvulus	Glucosylceramidase homolog	0.0349	0.6514	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0067	0.1139	0.3101
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0168	0.0458
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0532	1	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0037	0.0563	0.0555
Brugia malayi	Zinc finger, C2H2 type family protein	0.0078	0.1351	0.1351
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0306	0.0306
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0306	0.0833
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Schistosoma mansoni	dihydroorotate dehydrogenase	0.02	0.3674	0.3962
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0306	0.0295
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0078	0.1351	0.1409
Echinococcus granulosus	histone lysine methyltransferase setb	0.0037	0.0563	0.0555
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0037	0.0563	0.0608
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0078	0.1351	0.1409
Schistosoma mansoni	cpg binding protein	0.0037	0.0561	0.0605
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	glucosylceramidase, putative	0.0368	0.6872	0.6868
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.02	0.3674	1
Onchocerca volvulus		0.0287	0.5326	0.8017
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0252	0.4664	0.4664
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Trichomonas vaginalis	glucosylceramidase, putative	0.0532	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0078	0.1351	0.134
Plasmodium vivax	SET domain protein, putative	0.0037	0.0563	0.1534
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0078	0.1351	0.1663
Trypanosoma brucei	unspecified product	0.0016	0.0168	0.0458
Loa Loa (eye worm)	histone methyltransferase	0.0012	0.0092	0.0092
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0168	0.0458
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0306	0.033
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0306	0.0465
Trichomonas vaginalis	set domain proteins, putative	0.0287	0.5326	0.532
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0306	0.0306
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0306	0.0276
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0524	0.0512
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0037	0.0563	0.0608
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.02	0.3674	0.3674
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0306	0.0833
Trichomonas vaginalis	glucosylceramidase, putative	0.0532	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0306	0.033
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.001	0.0052	0.0056
Echinococcus granulosus	dna polymerase eta	0.0023	0.0306	0.0276
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.02	0.3674	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Leishmania major	DNA polymerase eta, putative	0.0023	0.0306	0.0833
Trypanosoma brucei	unspecified product	0.0016	0.0168	0.0458
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.6586	0.6582
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0306	0.0833
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0306	0.0276
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.02	0.3674	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0349	0.6514	0.651
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0168	0.0458

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.78 uM	Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydroorotate as substrate after 10 mins by DCIP dye reduction assay	ChEMBL.	22984987
IC50 (ADMET)	= 26.32 uM	Cytotoxicity against human Jurkat cells after 4 days by MTT assay	ChEMBL.	22984987
Inhibition (binding)	< 20 %	Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE3) using L-dihydroorotate as substrate at 10 uM after 10 mins by DCIP dye reduction assay	ChEMBL.	22984987
Potency (functional)	0.0329 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	0.8913 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	1.9953 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)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (binding)	31.6228 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL2178107

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1717585