TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.387 | Formula: C20H12N2OS
H donors: 2 H acceptors: 1 LogP: 4.59 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NCc2c1c1c([nH]c3c1cccc3)c1c2c2ccccc2s1
InChi: 1S/C20H12N2OS/c23-20-17-12(9-21-20)15-11-6-2-4-8-14(11)24-19(15)18-16(17)10-5-1-3-7-13(10)22-18/h1-8,22H,9H2,(H,21,23)
InChiKey: QVCSOZKNTATQLJ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase kinase kinase 9	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase kinase 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128497	All targets in OG5_128497
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_128497	All targets in OG5_128497
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	Get druggable targets OG5_128497	All targets in OG5_128497

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0065	0.0039
Echinococcus multilocularis	muscleblind protein 1	0.0326	0.6977	0.6969
Schistosoma mansoni	smad1 5 8 and	0.0009	0.009	0.009
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0042	0.0803	0.0803
Brugia malayi	hypothetical protein	0.0072	0.1455	0.2085
Echinococcus granulosus	RIMS binding protein 2	0.0006	0.0028	0.0002
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Echinococcus granulosus	abl interactor 2	0.0006	0.0028	0.0002
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.009	0.0129
Echinococcus granulosus	LIM and SH3 domain protein 1	0.0006	0.0028	0.0002
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0343	0.7355	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.0028	0.004
Trypanosoma brucei	unspecified product	0.0011	0.0136	0.0185
Leishmania major	DNA polymerase kappa, putative	0.0024	0.041	0.0557
Plasmodium vivax	glutathione S-transferase, putative	0.0006	0.0026	0.198
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0065	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Loa Loa (eye worm)	troponin	0.0072	0.1455	0.2085
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.284	0.407
Brugia malayi	RasGEF domain containing protein	0.0007	0.0046	0.0065
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0299	0.0406
Schistosoma mansoni	DNA polymerase eta	0.0016	0.0247	0.0247
Toxoplasma gondii	hypothetical protein	0.001	0.0109	0.088
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.001	0.0109	0.0155
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0803	0.1092
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0247	0.0353
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0343	0.7355	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0657	0.0942
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Schistosoma mansoni	glutathione-S-transferase	0.0053	0.1042	0.1042
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0016	0.0247	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0176	0.1696
Trypanosoma brucei	unspecified product	0.0039	0.0741	0.1008
Schistosoma mansoni	troponin I	0.0121	0.2529	0.2529
Plasmodium falciparum	elongation factor 1-gamma, putative	0.0011	0.0133	0.1274
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0007	0.0046	0.0062
Echinococcus multilocularis	glutathione S transferase	0.0053	0.1042	0.1018
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0065	0.0039
Loa Loa (eye worm)	troponin T	0.0072	0.1455	0.2085
Schistosoma mansoni	hematopoietic lineage cell specific protein	0.0006	0.0028	0.0028
Loa Loa (eye worm)	TKL/MLK/MLK protein kinase	0.0007	0.0036	0.0051
Trypanosoma cruzi	hypothetical protein, conserved	0.0006	0.0028	0.0038
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0042	0.0803	0.0803
Loa Loa (eye worm)	Smad1	0.0009	0.009	0.0129
Schistosoma mansoni	Smad4	0.0009	0.009	0.009
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.0028	0.004
Echinococcus granulosus	geminin	0.0177	0.3741	0.3725
Schistosoma mansoni	troponin I	0.0121	0.2529	0.2529
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0599	0.0858
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0201
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0109	0.0083
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Mycobacterium ulcerans	hypothetical protein	0.0181	0.3821	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.025
Echinococcus multilocularis	Src y 3 domain	0.0006	0.0028	0.0002
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.009	0.0064
Trypanosoma cruzi	Vps23 core domain containing protein, putative	0.0025	0.0439	0.0596
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Echinococcus multilocularis	geminin	0.0177	0.3741	0.3725
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0939	0.1276
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Plasmodium falciparum	glutathione S-transferase	0.0053	0.1042	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0109	0.0083
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0042	0.0803	0.7524
Onchocerca volvulus		0.0033	0.0599	0.1321
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.009	0.0064
Brugia malayi	hypothetical protein	0.0172	0.3624	0.5194
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0016	0.0247	0.0247
Schistosoma mansoni	tsg101-related	0.0066	0.132	0.132
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0079	0.1608	0.1586
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0007	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0042	0.0803	0.1151
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0079	0.1608	0.1586
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0109	0.0083
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0599	0.0858
Echinococcus granulosus	smad	0.0009	0.009	0.0064
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.025
Trypanosoma brucei	elongation factor 1 gamma, putative	0.0011	0.0133	0.018
Schistosoma mansoni	hypothetical protein	0.0465	1	1
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0106	0.0151
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0006	0.0028	0.0002
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0065	0.0065
Trypanosoma cruzi	hypothetical protein, conserved	0.0006	0.0028	0.0038
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0007	0.0046	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0803	0.1151
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0042	0.0803	0.8847
Brugia malayi	N-terminal motif family protein	0.0205	0.4352	0.6237
Schistosoma mansoni	Glutathione S-transferase 28 kDa (GST 28) (GST class-mu)	0.0006	0.0026	0.0026
Echinococcus granulosus	protein kinase C and casein kinase substrate in	0.0006	0.0028	0.0002
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0803	0.0779
Brugia malayi	Troponin T	0.0072	0.1455	0.2085
Echinococcus multilocularis	intersectin 2	0.0006	0.0028	0.0002
Brugia malayi	MH2 domain containing protein	0.0136	0.284	0.407
Onchocerca volvulus		0.001	0.0109	0.0187
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0109	0.0155
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0803	0.1092
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.009	0.009
Brugia malayi	Smad1	0.0009	0.009	0.0129
Plasmodium vivax	elongation factor 1-gamma, putative	0.0011	0.0133	1
Echinococcus multilocularis	glutathione S transferase	0.0047	0.0904	0.088
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0.0046	0.0201
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0059	0.1168	0.1589
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0326	0.6977	1
Brugia malayi	DIX domain containing protein	0.001	0.0109	0.0155
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0006	0.0028	0.0028
Echinococcus granulosus	Src y 3 domain	0.0006	0.0028	0.0002
Schistosoma mansoni	troponin t invertebrate	0.0151	0.3164	0.3164
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.009	0.0064
Toxoplasma gondii	elongation factor 1-gamma, putative	0.0011	0.0133	0.1075
Onchocerca volvulus	Troponin T, skeletal muscle homolog	0.0151	0.3164	0.7253
Onchocerca volvulus		0.0172	0.3624	0.8318
Brugia malayi	ImpB/MucB/SamB family protein	0.0016	0.0247	0.0353
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Trypanosoma cruzi	hypothetical protein	0.0007	0.0046	0.0062
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Schistosoma mansoni	cpg binding protein	0.0033	0.0599	0.0599
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0024	0.041	0.0949
Echinococcus granulosus	son of sevenless 1	0.0007	0.0046	0.0019
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Trypanosoma brucei	paraflagellar rod protein 5, putative	0.0006	0.0028	0.0038
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0109	0.0083
Trypanosoma brucei	SH3 domain protein, conserved	0.0006	0.0028	0.0038
Echinococcus granulosus	oncosphere protein Tso22e	0.0151	0.3164	0.3146
Echinococcus multilocularis	oncosphere protein tso22e oncosphere protein tso22d oncosphere protein tso22c oncosphere protein tso22b oncosphere protein tso22	0.0151	0.3164	0.3146
Trypanosoma brucei	unspecified product	0.0011	0.0136	0.0185
Schistosoma mansoni	nebulin	0.0006	0.0028	0.0028
Echinococcus multilocularis	dna polymerase kappa	0.0047	0.0904	0.088
Schistosoma mansoni	GST class-mu	0.0053	0.1042	0.1042
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Leishmania major	DNA polymerase eta, putative	0.0016	0.0247	0.0335
Trypanosoma brucei	DNA polymerase IV, putative	0.0047	0.0904	0.1229
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Toxoplasma gondii	hypothetical protein	0.0055	0.1093	0.8858
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0046	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Echinococcus granulosus	muscleblind protein	0.0326	0.6977	0.6969
Loa Loa (eye worm)	hypothetical protein	0.001	0.0109	0.0155
Trypanosoma brucei	hypothetical protein, conserved	0.0006	0.0026	0.0036
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.025
Brugia malayi	Troponin T	0.0072	0.1455	0.2085
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.005	0.025
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0048	0.0939	0.1276
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Schistosoma mansoni	hypothetical protein	0.0177	0.3741	0.3741
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Schistosoma mansoni	hypothetical protein	0.0121	0.2529	0.2529
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0109	0.0083
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0176	0.024
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Loa Loa (eye worm)	abl-interactor 1	0.0006	0.0028	0.004
Schistosoma mansoni	troponin I	0.0121	0.2529	0.2529
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0109	0.0109
Leishmania major	hypothetical protein, conserved	0.0006	0.0028	0.0038
Echinococcus multilocularis	ubiquitin specific protease 41	0.0042	0.0803	0.0779
Loa Loa (eye worm)	hypothetical protein	0.001	0.0109	0.0155
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0042	0.0803	0.1092
Echinococcus granulosus	glutathione S transferase	0.0053	0.1042	0.1018
Brugia malayi	hypothetical protein	0.0006	0.0028	0.004
Brugia malayi	polk-prov protein	0.0035	0.0657	0.0942
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Echinococcus granulosus	dna polymerase kappa	0.0047	0.0904	0.088
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0163	0.3422	0.4653
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0016	0.0247	0.0247
Echinococcus multilocularis	Smad4	0.0009	0.009	0.0064
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0.0046	0.0201
Echinococcus multilocularis	rap guanine nucleotide exchange factor 6	0.0007	0.0046	0.0019
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0109	0.0155
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0046	0.0046
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Echinococcus granulosus	intersectin 2	0.0006	0.0028	0.0002
Echinococcus granulosus	Cbl interacting protein of 85 kDa	0.0006	0.0028	0.0002
Schistosoma mansoni	sh3-containing grb2-like protein 3 (endophilin III)	0.0006	0.0028	0.0028
Echinococcus multilocularis	glutathione S-transferase	0.0053	0.1042	0.1018
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0042	0.0803	0.0779
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0109	0.0083
Schistosoma mansoni	dynamin-associated protein	0.0006	0.0028	0.0028
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Brugia malayi	MH2 domain containing protein	0.0009	0.009	0.0129
Trichomonas vaginalis	helicase, putative	0.0007	0.005	0.025
Trypanosoma cruzi	DNA polymerase eta, putative	0.0016	0.0247	0.0335
Trypanosoma cruzi	hypothetical protein	0.0007	0.0046	0.0062
Echinococcus multilocularis	glutathione S transferase	0.0053	0.1042	0.1018
Echinococcus multilocularis	rap guanine nucleotide exchange factor 1	0.0007	0.0046	0.0019
Schistosoma mansoni	hypothetical protein	0.0006	0.0028	0.0028
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Brugia malayi	Abl-interactor 1	0.0006	0.0028	0.004
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0046	0.0065
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0657	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Echinococcus multilocularis	abl interactor 2	0.0006	0.0028	0.0002
Brugia malayi	glutathione transferase	0.0006	0.0026	0.0037
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0007	0.0046	0.0201
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0109	0.0083
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0046	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Onchocerca volvulus	Troponin I homolog	0.0121	0.2529	0.5784
Leishmania major	peroxin 13, putative;with=GeneDB:Tb927.10.14720	0.0006	0.0028	0.0038
Echinococcus multilocularis	ras GTP exchange factor	0.0007	0.0046	0.0019
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.1234	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0803	0.0779
Brugia malayi	N-terminal motif family protein	0.0007	0.0046	0.0065
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Mycobacterium ulcerans	DNA polymerase IV	0.0047	0.0904	0.2366
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0054	0.1058	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Brugia malayi	MH2 domain containing protein	0.0009	0.009	0.0129
Brugia malayi	Troponin I	0.0121	0.2529	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0172	0.3624	0.5194
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Echinococcus granulosus	rap guanine nucleotide exchange factor 1	0.0007	0.0046	0.0019
Echinococcus multilocularis	glutathione s transferase mu	0.0053	0.1042	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Leishmania major	elongation factor-1 gamma	0.0011	0.0133	0.018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Leishmania major	paraflagellar rod protein-like protein	0.0006	0.0028	0.0038
Giardia lamblia	DINP protein human, muc B family	0.0024	0.041	0.5103
Schistosoma mansoni	hypothetical protein	0.0177	0.3741	0.3741
Leishmania major	hypothetical protein, conserved	0.0006	0.0028	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0299	0.0406
Trypanosoma brucei	Vps23 core domain containing protein, putative	0.0025	0.0439	0.0596
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0109	0.0083
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Echinococcus multilocularis	Cbl interacting protein of 85 kDa	0.0006	0.0028	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0205	0.4352	0.6237
Schistosoma mansoni	hypothetical protein	0.0006	0.0028	0.0028
Echinococcus granulosus	cpg binding protein	0.0035	0.0639	0.0615
Brugia malayi	Troponin T	0.0072	0.1455	0.2085
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0343	0.7355	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Schistosoma mansoni	cpg binding protein	0.0035	0.0639	0.0639
Echinococcus granulosus	rap guanine nucleotide exchange factor 6	0.0007	0.0046	0.0019
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0016	0.0247	0.0353
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0042	0.0803	0.1092
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0016	0.0247	0.0517
Echinococcus multilocularis	protein kinase C and casein kinase substrate in	0.0006	0.0028	0.0002
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0109	0.0155
Trichomonas vaginalis	DNA polymerase eta, putative	0.0047	0.0904	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0042	0.0803	0.0779
Schistosoma mansoni	elongation factor 1-gamma	0.0011	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2529	0.3624
Loa Loa (eye worm)	hypothetical protein	0.001	0.0109	0.0155
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0176	0.024
Echinococcus granulosus	troponin i	0.0121	0.2529	0.2509
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0741	0.1008
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Trypanosoma brucei	DNA polymerase IV, putative	0.0047	0.0904	0.1229
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0046	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Schistosoma mansoni	hypothetical protein	0.0006	0.0028	0.0028
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0299	0.0406
Echinococcus multilocularis	NCK adaptor protein	0.0006	0.0028	0.0002
Brugia malayi	Troponin family protein	0.0121	0.2529	0.3624
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Schistosoma mansoni	dishevelled	0.001	0.0109	0.0109
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Brugia malayi	MH1 domain containing protein	0.0009	0.009	0.0129
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0047	0.0904	1
Brugia malayi	MH1 domain containing protein	0.0009	0.009	0.0129
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0042	0.0803	0.0779
Entamoeba histolytica	hypothetical protein	0.0013	0.0176	0.1442
Schistosoma mansoni	serine/threonine protein kinase	0.0218	0.4625	0.4625
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0163	0.3422	0.4653
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0109	0.0109
Trypanosoma brucei	elongation factor 1 gamma, putative	0.0011	0.0133	0.018
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.005	0.025
Echinococcus multilocularis	glutathione S transferase	0.0047	0.0904	0.088
Schistosoma mansoni	troponin I	0.0121	0.2529	0.2529
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0048	0.0939	0.1276
Echinococcus granulosus	glutathione S transferase	0.0053	0.1042	0.1018
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1608	0.2304
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0013	0.0163	0.1322
Echinococcus multilocularis	glutathione S transferase	0.0053	0.1042	0.1018
Brugia malayi	hypothetical protein	0.001	0.0109	0.0155
Echinococcus multilocularis	endophilin A3	0.0006	0.0028	0.0002
Leishmania major	mitochondrial DNA polymerase beta	0.0343	0.7355	1
Brugia malayi	N-terminal motif family protein	0.0007	0.0046	0.0065
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.0028	0.004
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Echinococcus multilocularis	RIMS binding protein 2	0.0006	0.0028	0.0002
Entamoeba histolytica	hypothetical protein	0.0013	0.0176	0.1442
Echinococcus multilocularis	Protein son of sevenless	0.0007	0.0046	0.0019
Schistosoma mansoni	tsg101-related	0.0054	0.1058	0.1058
Entamoeba histolytica	hypothetical protein	0.0007	0.0046	0.0171
Echinococcus granulosus	growth factor receptor bound protein 2	0.0006	0.0028	0.0002
Schistosoma mansoni	smad1 5 8 and	0.0009	0.009	0.009
Echinococcus multilocularis	rho guanine nucleotide exchange factor 16	0.0006	0.0028	0.0002
Echinococcus granulosus	dna polymerase eta	0.0016	0.0247	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0803	0.8847
Loa Loa (eye worm)	DIX domain-containing protein	0.001	0.0109	0.0155
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0065	0.0039
Schistosoma mansoni	smad	0.0009	0.009	0.009
Schistosoma mansoni	dep domain containing protein	0.001	0.0109	0.0109
Echinococcus granulosus	glutathione S transferase	0.0053	0.1042	0.1018
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.009	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1455	0.2085
Brugia malayi	hypothetical protein	0.0079	0.1608	0.2304
Schistosoma mansoni	dishevelled	0.001	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.0028	0.004
Echinococcus granulosus	glutathione s transferase mu	0.0053	0.1042	0.1018
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Echinococcus granulosus	protein of unknown function DUF2013	0.0006	0.0028	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0181	0.3821	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0026	0.0037
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0109	0.0083
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0109	0.0109
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.025
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Echinococcus multilocularis	troponin i	0.0121	0.2529	0.2509
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.284	0.407
Echinococcus multilocularis	dna polymerase eta	0.0016	0.0247	0.0221
Schistosoma mansoni	cpg binding protein	0.0035	0.0639	0.0639
Loa Loa (eye worm)	troponin I	0.0121	0.2529	0.3624
Trypanosoma brucei	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0046	0.0046
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0224	0.4764	0.475
Echinococcus multilocularis	cpg binding protein	0.0035	0.0639	0.0615
Trypanosoma brucei	DNA polymerase eta, putative	0.0016	0.0247	0.0335
Echinococcus granulosus	ras GTP exchange factor	0.0007	0.0046	0.0019
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Leishmania major	elongation factor 1-gamma, putative	0.0011	0.0133	0.018
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0163	0.3422	0.4653
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Schistosoma mansoni	membrane traffic protein	0.0006	0.0028	0.0028
Loa Loa (eye worm)	BAR domain-containing protein	0.0006	0.0028	0.004
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0048	0.0939	0.1276
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.025
Echinococcus multilocularis	protein of unknown function DUF2013	0.0006	0.0028	0.0002
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.009	0.0064
Schistosoma mansoni	smad1 5 8 and	0.0009	0.009	0.009
Entamoeba histolytica	hypothetical protein	0.0013	0.0176	0.1442
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0205	0.4352	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0109	0.0083
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0006	0.0026	0.0036
Echinococcus granulosus	Protein son of sevenless	0.0007	0.0046	0.0019
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0326	0.6977	1
Echinococcus granulosus	sh3 containing grb2 protein 3	0.0006	0.0028	0.0002
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0109	0.0155
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0006	0.0028	0.0002
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0224	0.4764	0.475
Echinococcus multilocularis	son of sevenless 1	0.0007	0.0046	0.0019
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0042	0.0803	1
Echinococcus granulosus	rho guanine nucleotide exchange factor 16	0.0006	0.0028	0.0002
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0042	0.0803	0.8847
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0016	0.0247	0.0221
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0176	0.1696
Echinococcus multilocularis	smad	0.0009	0.009	0.0064
Schistosoma mansoni	growth factor receptor-bound protein	0.0006	0.0028	0.0028
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Trypanosoma cruzi	elongation factor 1-gamma (EF-1-gamma), putative	0.0011	0.0133	0.018
Echinococcus multilocularis	glutathione S transferase	0.0053	0.1042	0.1018
Schistosoma mansoni	tsg101-related	0.0066	0.132	0.132
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.005	0.025
Trypanosoma brucei	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0176	0.024
Leishmania major	hypothetical protein, conserved	0.0006	0.0026	0.0036
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0046	0.0065
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0006	0.0028	0.0028
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0016	0.0247	0.2124
Onchocerca volvulus		0.0007	0.0046	0.0041
Echinococcus multilocularis	muscleblind protein	0.0326	0.6977	0.6969
Echinococcus multilocularis	eukaryotic translation elongation factor 1	0.0011	0.0133	0.0107
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0047	0.0904	0.1229
Echinococcus multilocularis	LIM and SH3 domain protein 1	0.0006	0.0028	0.0002
Echinococcus granulosus	eukaryotic translation elongation factor 1	0.0011	0.0133	0.0107
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.001	0.0109	0.0187
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Brugia malayi	RasGEF domain containing protein	0.0007	0.0046	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004
Schistosoma mansoni	hypothetical protein	0.0006	0.0028	0.0028
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0109	0.0083
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0024	0.041	0.0557
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0007	0.0038	0.0038
Trypanosoma brucei	DNA polymerase kappa, putative	0.0035	0.0657	0.0894
Brugia malayi	Muscleblind-like protein	0.0326	0.6977	1
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0109	0.0083
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.1395	0.1395
Brugia malayi	Variant SH3 domain containing protein	0.0007	0.0036	0.0051
Mycobacterium ulcerans	DNA polymerase IV	0.0047	0.0904	0.2366
Schistosoma mansoni	ras GTP exchange factor	0.0007	0.0046	0.0046
Brugia malayi	Variant SH3 domain containing protein	0.0006	0.0028	0.004
Echinococcus multilocularis	sh3 containing grb2 protein 3	0.0006	0.0028	0.0002
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0006	0.0028	0.004
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0247	0.0353
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Brugia malayi	hypothetical protein	0.001	0.0109	0.0155
Brugia malayi	RasGEF domain containing protein	0.0007	0.0046	0.0065
Brugia malayi	hypothetical protein	0.0006	0.0028	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.005	0.025
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0046	0.0171
Echinococcus granulosus	Smad4	0.0009	0.009	0.0064
Leishmania major	hypothetical protein, conserved	0.0025	0.0439	0.0596
Onchocerca volvulus	Troponin T, skeletal muscle homolog	0.0072	0.1455	0.33
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2529	0.3624
Entamoeba histolytica	hypothetical protein	0.0013	0.0176	0.1442
Schistosoma mansoni	tyrosine kinase	0.0008	0.0065	0.0065
Trypanosoma brucei	DNA polymerase kappa, putative	0.0024	0.041	0.0557
Echinococcus multilocularis	dnaJ subfamily B	0.0465	1	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0046	0.0065
Trichomonas vaginalis	hypothetical protein	0.0039	0.0726	0.797
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0028	0.004

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 171 nM	Inhibition of GST-MLK3 expressed in baculovirus	ChEMBL.	17266195
IC50 (binding)	= 171 nM	Inhibition of GST-MLK3 expressed in baculovirus	ChEMBL.	17266195
IC50 (binding)	= 1795 nM	Inhibition of GST-MLK1 expressed in baculovirus	ChEMBL.	17266195
IC50 (binding)	= 1795 nM	Inhibition of GST-MLK1 expressed in baculovirus	ChEMBL.	17266195

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: CHEMBL220799
PubChem: 11131268

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 411751