TDR Targets

Basic information

Technical information

TDR Targets ID: 1403139
Name: 3-(3,5-dimethylphenyl)-1-isoquinolin-5-ylthio urea
MW: 307.413 | Formula: C18H17N3S
H donors: 1 H acceptors: 1 LogP: 4.43 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc(cc(c1)C)NC(=Nc1cccc2c1ccnc2)S
InChi: 1S/C18H17N3S/c1-12-8-13(2)10-15(9-12)20-18(22)21-17-5-3-4-14-11-19-7-6-16(14)17/h3-11H,1-2H3,(H2,20,21,22)
InChiKey: DJHFXEIOKNXAHW-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

3-(3,5-dimethylphenyl)-1-(5-isoquinolyl)thiourea
3-(3,5-dimethylphenyl)-1-isoquinolin-5-yl-thiourea
ZINC05559422
T0512-7112
MLS001018426
SMR000354674

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	Pre-SET motif family protein	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
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
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
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	Possible oxidoreductase	0.0379	0.3762	1
Brugia malayi	TAR-binding protein	0.0128	0.1157	0.3076
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Echinococcus granulosus	snurportin 1	0.0302	0.2961	0.349
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0202	0.0238
Trypanosoma brucei	prostaglandin f synthase	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase	0.0379	0.3762	0.3762
Echinococcus granulosus	aldo keto reductase	0.0379	0.3762	0.4434
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0379	0.3762	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.8484	0.8484
Schistosoma mansoni	jumonji domain containing protein	0.0019	0.0024	0.0029
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.3494	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0121	0.0121
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0202	0.0537
Entamoeba histolytica	aldose reductase, putative	0.0379	0.3762	1
Echinococcus multilocularis	snurportin 1	0.0302	0.2961	0.2961
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0589	0.0589
Trypanosoma brucei	aldo/keto reductase, putative	0.0379	0.3762	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Brugia malayi	jmjC domain containing protein	0.0019	0.0024	0.0064
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.1157	0.1157
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0373	0.0991
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0121	0.0143
Trypanosoma brucei	aldo-keto reductase, putative	0.0379	0.3762	1
Loa Loa (eye worm)	oxidoreductase	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Loa Loa (eye worm)	oxidoreductase	0.0379	0.3762	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0024	0.0064
Onchocerca volvulus		0.0286	0.2799	0.7295
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.2799	0.7395
Brugia malayi	Pre-SET motif family protein	0.0251	0.2438	0.6482
Schistosoma mansoni	hypothetical protein	0.0036	0.02	0.0236
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0202	0.0238
Toxoplasma gondii	aldo-keto reductase	0.0379	0.3762	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0379	0.3762	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Echinococcus multilocularis	JmjC domain containing protein 4	0.0019	0.0024	0.0024
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0202	0.0202
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Loa Loa (eye worm)	hypothetical protein	0.0036	0.02	0.0532
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.0565	0.0565
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.0565	0.0666
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0202	0.0476
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0379	0.3762	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0188	0.0222
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0302	0.2961	0.7871
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.8484	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0373	0.0991
Trichomonas vaginalis	conserved hypothetical protein	0.0379	0.3762	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0373	0.0991
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.02	0.0532
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0589	0.0694
Onchocerca volvulus		0.0379	0.3762	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0379	0.3762	1
Plasmodium falciparum	aldo-keto reductase, putative	0.0379	0.3762	1
Echinococcus multilocularis	phd:f box containing protein	0.0019	0.0024	0.0024
Loa Loa (eye worm)	oxidoreductase	0.0379	0.3762	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0064
Echinococcus granulosus	jumonji domain containing 1A	0.0019	0.0024	0.0029
Trypanosoma cruzi	aldo/keto reductase, putative	0.0379	0.3762	1
Schistosoma mansoni	hypothetical protein	0.0342	0.3376	0.3979
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0121	0.0259
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0379	0.3762	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.0565	0.0565
Trichomonas vaginalis	aldo/keto reductase, putative	0.0379	0.3762	1
Echinococcus granulosus	aldo keto reductase	0.0379	0.3762	0.4434
Trichomonas vaginalis	aldo/keto reductase, putative	0.0379	0.3762	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0379	0.3762	1
Echinococcus multilocularis	geminin	0.0342	0.3376	0.3376
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1157	0.1364
Schistosoma mansoni	hypothetical protein	0.0302	0.2961	0.349
Echinococcus granulosus	voltage gated potassium channel subunit	0.0379	0.3762	0.4434
Onchocerca volvulus		0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3762	1
Echinococcus granulosus	geminin	0.0342	0.3376	0.3979
Mycobacterium tuberculosis	Probable oxidoreductase	0.0379	0.3762	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.0565	0.0666
Leishmania major	aldo-keto reductase-like protein	0.0379	0.3762	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0379	0.3762	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0379	0.3762	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0121	0.0259
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0121	0.0259
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1157	0.1364
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0565	0.0666
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0121	0.0322
Brugia malayi	jmjC domain containing protein	0.0071	0.0565	0.1503
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0379	0.3762	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Brugia malayi	Importin beta-1 subunit	0.0028	0.0121	0.0322
Entamoeba histolytica	aldose reductase, putative	0.0379	0.3762	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0589	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0064
Onchocerca volvulus		0.0379	0.3762	1
Brugia malayi	jmjC domain containing protein	0.0019	0.0024	0.0064
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0121	0.0259
Loa Loa (eye worm)	RNA binding protein	0.0128	0.1157	0.3076
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0019	0.0024	0.0029
Loa Loa (eye worm)	oxidoreductase	0.0379	0.3762	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0379	0.3762	1
Schistosoma mansoni	importin beta-1	0.0028	0.0121	0.0143
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1157	0.1364
Echinococcus multilocularis	lysine specific demethylase 6a	0.0019	0.0024	0.0024
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Brugia malayi	NADH-dependent xylose reductase	0.0379	0.3762	1
Mycobacterium ulcerans	hypothetical protein	0.0379	0.3762	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0379	0.3762	1
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.1157	0.3076
Schistosoma mansoni	hypothetical protein	0.0342	0.3376	0.3979
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0202	0.0202
Onchocerca volvulus		0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0065	0.011
Plasmodium falciparum	aldehyde reductase, putative	0.0379	0.3762	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0379	0.3762	1
Echinococcus granulosus	tar DNA binding protein	0.0128	0.1157	0.1364
Schistosoma mansoni	phosphatidylserine receptor	0.0019	0.0024	0.0029
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0379	0.3762	1
Mycobacterium ulcerans	oxidoreductase	0.0379	0.3762	1
Brugia malayi	RNA binding protein	0.0128	0.1157	0.3076
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.1619	0.3244
Schistosoma mansoni	aldo-keto reductase	0.0379	0.3762	0.4434
Brugia malayi	jmjC domain containing protein	0.0019	0.0024	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0202	0.0537
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0373	0.0991
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0379	0.3762	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0379	0.3762	0.3762
Schistosoma mansoni	aldo-keto reductase	0.0379	0.3762	0.4434
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.0565	0.0666
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Echinococcus granulosus	lysine specific demethylase 6a	0.0019	0.0024	0.0029
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0379	0.3762	0.4434
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0589	0.1512
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Brugia malayi	RNA, U transporter 1	0.008	0.0662	0.176
Giardia lamblia	Aldose reductase	0.0379	0.3762	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0379	0.3762	1
Plasmodium falciparum	importin beta, putative	0.0028	0.0121	0.0259
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.1157	0.3076
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0202	0.0238
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0379	0.3762	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Schistosoma mansoni	potassium channel beta	0.0379	0.3762	0.4434
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Echinococcus multilocularis	jumonji domain containing 1A	0.0019	0.0024	0.0024
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0379	0.3762	1
Trypanosoma cruzi	aldo-keto reductase	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase	0.0379	0.3762	0.3762
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0379	0.3762	1
Leishmania major	prostaglandin f synthase, putative	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Brugia malayi	jmjC domain containing protein	0.0019	0.0024	0.0064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0589	0.0694
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.2438	0.6482
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0065	0.011
Mycobacterium tuberculosis	Conserved protein	0.0379	0.3762	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0379	0.3762	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0379	0.3762	1
Giardia lamblia	Aldose reductase	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0202	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0064
Trichomonas vaginalis	aldo/keto reductase, putative	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Echinococcus granulosus	aldo keto reductase	0.0379	0.3762	0.4434
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0379	0.3762	0.4434
Echinococcus granulosus	hypothetical protein	0.0379	0.3762	0.4434
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0565	0.0666
Schistosoma mansoni	phd/f-box containing protein	0.0019	0.0024	0.0029
Echinococcus multilocularis	aldo keto reductase	0.0379	0.3762	0.3762
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.3494	0.9275
Schistosoma mansoni	protein phosphatase 2C	0.0019	0.0024	0.0029
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0379	0.3762	0.3762
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0019	0.0024	0.0029
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0589	0.1512
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.1619	0.3244
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Plasmodium vivax	SET domain protein, putative	0.0036	0.0202	0.0476
Toxoplasma gondii	aldose reductase, putative	0.0379	0.3762	1
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.1157	0.3076
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0024	0.0064
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0202	0.0238
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1157	0.1364
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Echinococcus multilocularis	aldo keto reductase	0.0379	0.3762	0.3762
Loa Loa (eye worm)	oxidoreductase	0.0379	0.3762	1
Plasmodium vivax	aldehyde reductase, putative	0.0379	0.3762	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0565	0.1503
Echinococcus granulosus	phd:f box containing protein	0.0019	0.0024	0.0029
Trichomonas vaginalis	aldo-keto reductase, putative	0.0379	0.3762	1
Entamoeba histolytica	aldose reductase, putative	0.0379	0.3762	1
Onchocerca volvulus		0.0379	0.3762	1
Brugia malayi	jmjC domain containing protein	0.0071	0.0565	0.1503
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.1157	0.1364
Schistosoma mansoni	pol-related	0.0379	0.3762	0.4434
Echinococcus granulosus	JmjC domain containing protein 4	0.0019	0.0024	0.0029
Onchocerca volvulus		0.0379	0.3762	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0024	0.0064
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0019	0.0024	0.0024
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.8484	1
Onchocerca volvulus		0.0379	0.3762	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.8526 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)	2.0787 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)	= 3.5397 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)	8.1961 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	17.7828 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 22.3872 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)	23.1093 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)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	33.5875 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 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
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	56.2341 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
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1562869

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1403139