TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 484.523 | Formula: C28H26N3O5+
H donors: 1 H acceptors: 4 LogP: 2.01 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4ccc(cc4cc3Cn1c2=O)OCC[n+]1cccc(c1)C
InChi: 1S/C28H26N3O5/c1-3-28(34)22-13-24-25-19(15-31(24)26(32)21(22)16-36-27(28)33)11-18-12-20(6-7-23(18)29-25)35-10-9-30-8-4-5-17(2)14-30/h4-8,11-14,34H,3,9-10,15-16H2,1-2H3/q+1/t28-/m0/s1
InChiKey: MTHLZPWGYIETHM-NDEPHWFRSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0102	0.2329	0.2253
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0328	0.1216
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0328	0.5
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0424	0.1623
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0029	0.0499	0.3448
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0576	0.0691
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0424	0.033
Schistosoma mansoni	ran	0.0024	0.0364	0.0437
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0105	0.2416	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0022	0.0328	0.2168
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0022	0.0328	0.0393
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0022	0.0328	0.5
Entamoeba histolytica	hypothetical protein	0.0013	0.0097	0.0248
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0022	0.0328	0.1216
Onchocerca volvulus		0.0335	0.8187	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0424	0.1623
Schistosoma mansoni	kinase	0.0054	0.1123	0.1346
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0341	0.8343	1
Schistosoma mansoni	phd finger protein	0.0011	0.0038	0.0046
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0102	0.2329	0.9632
Plasmodium falciparum	glutathione reductase	0.0064	0.1373	1
Plasmodium falciparum	thioredoxin reductase	0.0064	0.1373	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0407	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1047	0.1255
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0099	0.2267	0.9372
Entamoeba histolytica	hypothetical protein	0.0013	0.0097	0.0248
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Plasmodium vivax	thioredoxin reductase, putative	0.0064	0.1373	1
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0364	0.0445
Echinococcus granulosus	flap endonuclease 1	0.0029	0.0499	0.0598
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0022	0.0328	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0064	0.1373	0.1645
Schistosoma mansoni	hypothetical protein	0.004	0.0775	0.0929
Brugia malayi	hypothetical protein	0.0077	0.171	0.2088
Echinococcus multilocularis	dual specificity	0.0099	0.2267	0.2717
Schistosoma mansoni	tsg101-related	0.0064	0.1386	0.1661
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Echinococcus granulosus	thioredoxin glutathione reductase	0.0064	0.1373	0.1645
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0022	0.0328	0.5
Leishmania major	hypothetical protein, conserved	0.0025	0.0393	0.149
Entamoeba histolytica	protein kinase domain containing protein	0.0099	0.2267	0.9372
Entamoeba histolytica	hypothetical protein	0.0013	0.0097	0.0248
Entamoeba histolytica	hypothetical protein	0.004	0.0775	0.3098
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0328	0.1216
Echinococcus granulosus	snurportin 1	0.0341	0.8343	1
Echinococcus multilocularis	histone lysine N methyltransferase, H3 lysine 36	0.0012	0.0069	0.0083
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1047	0.1255
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0022	0.0328	0.1216
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Loa Loa (eye worm)	thioredoxin reductase	0.0064	0.1373	0.1645
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0022	0.0328	0.1216
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Echinococcus multilocularis	geminin	0.0188	0.4491	0.5383
Brugia malayi	hypothetical protein	0.0011	0.0038	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0335	0.8187	0.9813
Entamoeba histolytica	hypothetical protein	0.0099	0.2267	0.9372
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Entamoeba histolytica	protein kinase, putative	0.0099	0.2267	0.9372
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Brugia malayi	PWWP domain containing protein	0.0011	0.0038	0.0047
Loa Loa (eye worm)	glutathione reductase	0.0064	0.1373	0.1645
Trichomonas vaginalis	flap endonuclease-1, putative	0.0029	0.0499	0.0405
Trichomonas vaginalis	hypothetical protein	0.0038	0.0717	0.0625
Echinococcus granulosus	dual specificity	0.0099	0.2267	0.2717
Trypanosoma cruzi	trypanothione reductase, putative	0.0064	0.1373	0.5612
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0052	0.109	0.4424
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0364	0.0351
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0077	0.171	0.2049
Echinococcus multilocularis	flap endonuclease 1	0.0029	0.0499	0.0598
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Giardia lamblia	NADPH oxidoreductase, putative	0.0407	1	1
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Entamoeba histolytica	hypothetical protein	0.004	0.0775	0.3098
Trypanosoma brucei	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0022	0.0328	0.0393
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Brugia malayi	MH2 domain containing protein	0.0132	0.3097	0.3783
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0022	0.0328	0.5
Schistosoma mansoni	SET domain protein	0.0036	0.0686	0.0822
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0029	0.0499	0.1935
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.3097	0.3712
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0016	0.0181	0.0221
Echinococcus multilocularis	snurportin 1	0.0341	0.8343	1
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0102	0.2329	0.9632
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Plasmodium falciparum	importin beta, putative	0.0032	0.0576	0.2379
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trypanosoma brucei	Vps23 core domain containing protein, putative	0.0025	0.0393	0.149
Trichomonas vaginalis	mercuric reductase, putative	0.0022	0.0328	0.0233
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0099	0.2267	0.9372
Brugia malayi	hypothetical protein	0.0335	0.8187	1
Echinococcus multilocularis	peregrin	0.0011	0.0038	0.0046
Treponema pallidum	NADH oxidase	0.0022	0.0328	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Schistosoma mansoni	hypothetical protein	0.0188	0.4491	0.5383
Schistosoma mansoni	hypothetical protein	0.0341	0.8343	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0077	0.171	0.2049
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0029	0.0499	0.1935
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Brugia malayi	glutathione reductase	0.0064	0.1373	0.1677
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0364	0.0351
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Trypanosoma cruzi	polo-like protein kinase, putative	0.0105	0.2416	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0576	0.4031
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Giardia lamblia	NADPH oxidoreductase, putative	0.0407	1	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0038	0.0046
Toxoplasma gondii	NADPH-glutathione reductase	0.0022	0.0328	0.2168
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0364	0.2442
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1047	0.1255
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0364	0.1371
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0105	0.2416	1
Schistosoma mansoni	hypothetical protein	0.0188	0.4491	0.5383
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0364	0.1371
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Brugia malayi	hypothetical protein	0.0011	0.0038	0.0047
Echinococcus granulosus	histone lysine N methyltransferase H3 lysine 36	0.0012	0.0069	0.0083
Echinococcus granulosus	geminin	0.0188	0.4491	0.5383
Plasmodium vivax	glutathione reductase, putative	0.0064	0.1373	1
Brugia malayi	Thioredoxin reductase	0.0064	0.1373	0.1677
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0102	0.2329	0.2253
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0576	0.2379
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0022	0.0328	0.0393
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Trichomonas vaginalis	conserved hypothetical protein	0.0306	0.7445	0.742
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0364	0.0038
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0407	1	1
Entamoeba histolytica	hypothetical protein	0.0102	0.2329	0.9632
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0064	0.1373	1
Schistosoma mansoni	tsg101-related	0.0052	0.109	0.1307
Trichomonas vaginalis	CAMK family protein kinase	0.0052	0.1088	0.1001
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0576	0.0691
Giardia lamblia	Flap structure-specific endonuclease	0.0029	0.0499	0.0177
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1047	0.1255
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0022	0.0328	0.1216
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Echinococcus multilocularis	PWWP domain containing protein 2A	0.0011	0.0038	0.0046
Entamoeba histolytica	hypothetical protein	0.0013	0.0097	0.0248
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0364	0.0437
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0576	0.2262
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0424	0.033
Schistosoma mansoni	hypothetical protein	0.0011	0.0038	0.0046
Schistosoma mansoni	hepatoma derived growth factor	0.0011	0.0038	0.0046
Schistosoma mansoni	SET domain protein	0.0012	0.0069	0.0083
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1047	0.1255
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0775	0.0929
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0022	0.0328	0.5
Trypanosoma cruzi	Vps23 core domain containing protein, putative	0.0025	0.0393	0.149
Brugia malayi	RNA, U transporter 1	0.0091	0.2056	0.2512
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0364	0.0437
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0097	0.0248
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0099	0.2267	0.2717
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1047	0.1279
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0775	0.0929
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Echinococcus granulosus	hepatoma derived growth factor protein	0.0011	0.0038	0.0046
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0364	0.0437
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0364	0.1371
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0099	0.2267	0.9372
Entamoeba histolytica	hypothetical protein	0.004	0.0775	0.3098
Schistosoma mansoni	serine/threonine protein kinase	0.0105	0.2416	0.2896
Leishmania major	trypanothione reductase	0.0064	0.1373	0.5612
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.3097	0.3712
Schistosoma mansoni	importin beta-1	0.0032	0.0576	0.0691
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0022	0.0328	0.04
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1047	0.1255
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0038	0.0046
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.2416	0.2342
Trypanosoma cruzi	trypanothione reductase, putative	0.0022	0.0328	0.1216
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0016	0.0181	0.0221
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Brugia malayi	serine/threonine-protein kinase plk-2	0.0105	0.2416	0.2951
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Schistosoma mansoni	hepatoma derived growth factor	0.0011	0.0038	0.0046
Trypanosoma cruzi	polo-like protein kinase, putative	0.0105	0.2416	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0097	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Loa Loa (eye worm)	flap endonuclease-1	0.0029	0.0499	0.0598
Entamoeba histolytica	Ran family GTPase	0.0024	0.0364	0.1371
Entamoeba histolytica	hypothetical protein	0.004	0.0775	0.3098
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0099	0.2267	0.9372
Entamoeba histolytica	protein kinase, putative	0.0099	0.2267	0.9372
Trichomonas vaginalis	CAMK family protein kinase	0.0052	0.1088	0.1001
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.2267	0.2717
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1047	0.1255
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0424	0.033
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0105	0.2416	0.2896
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0105	0.2416	0.2896
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0029	0.0499	0.1935
Echinococcus granulosus	histone lysine N methyltransferase NSD3	0.0036	0.0686	0.0822
Trichomonas vaginalis	ran, putative	0.0024	0.0364	0.027
Entamoeba histolytica	hypothetical protein	0.0026	0.0424	0.1623
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2245	0.2691
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0775	0.0929
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0022	0.0328	0.1216
Echinococcus granulosus	PWWP domain containing protein 2A	0.0011	0.0038	0.0046
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0407	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Brugia malayi	Flap endonuclease-1	0.0029	0.0499	0.0609
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	glutathione reductase, putative	0.0022	0.0328	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0077	0.171	0.2049
Plasmodium falciparum	flap endonuclease 1	0.0029	0.0499	0.1635
Echinococcus granulosus	PWWP domain containing protein 2A	0.0011	0.0038	0.0046
Trypanosoma brucei	polo-like protein kinase	0.0105	0.2416	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2245	0.2691
Echinococcus multilocularis	hepatoma derived growth factor protein	0.0011	0.0038	0.0046
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0105	0.2416	0.2896
Echinococcus multilocularis	PWWP domain containing protein 2A	0.0011	0.0038	0.0046
Brugia malayi	hypothetical protein	0.004	0.0775	0.0947
Entamoeba histolytica	Flap nuclease, putative	0.0029	0.0499	0.1935
Plasmodium vivax	flap endonuclease 1, putative	0.0029	0.0499	0.1635
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0022	0.0328	0.5
Leishmania major	GTP-binding protein, putative	0.0024	0.0364	0.1371
Schistosoma mansoni	ran	0.0024	0.0364	0.0437
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Echinococcus granulosus	peregrin	0.0011	0.0038	0.0046
Schistosoma mansoni	tsg101-related	0.0064	0.1386	0.1661
Brugia malayi	Importin beta-1 subunit	0.0032	0.0576	0.0704
Trypanosoma brucei	trypanothione reductase	0.0064	0.1373	0.5612
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1047	0.1255
Toxoplasma gondii	thioredoxin reductase	0.0064	0.1373	1
Echinococcus multilocularis	histone lysine N methyltransferase NSD3	0.0036	0.0686	0.0822
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0576	0.2262
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0022	0.0328	0.1216
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Schistosoma mansoni	hypothetical protein	0.0011	0.0038	0.0046
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Trichomonas vaginalis	conserved hypothetical protein	0.0407	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.2329	0.2253
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0105	0.2416	0.2918
Schistosoma mansoni	flap endonuclease-1	0.0026	0.0429	0.0514
Giardia lamblia	Kinase, PLK	0.0105	0.2416	0.2159
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0022	0.0328	0.1216
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0097	0.0248
Brugia malayi	Protein kinase domain containing protein	0.0099	0.2267	0.2769
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0576	0.0691
Trichomonas vaginalis	modulator of drug activity B, putative	0.0102	0.2329	0.2253
Loa Loa (eye worm)	PWWP domain-containing protein	0.0011	0.0038	0.0046

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.47 ug ml-1	In vitro cytotoxocity against Bel7402 cell line (human liver cancer) using MTT assay	ChEMBL.	15225719
IC50 (functional)	= 0.47 ug ml-1	In vitro cytotoxocity against Bel7402 cell line (human liver cancer) using MTT assay	ChEMBL.	15225719
IC50 (functional)	= 0.63 ug ml-1	In vitro cytotoxocity against KB cell line (human epidermoid carcinoma of the nasopharynx) using MTT assay	ChEMBL.	15225719
IC50 (functional)	= 0.63 ug ml-1	In vitro cytotoxocity against KB cell line (human epidermoid carcinoma of the nasopharynx) using MTT assay	ChEMBL.	15225719
IC50 (functional)	= 1.42 ug ml-1	In vitro cytotoxocity against HCT-8 cell line (human colon cancer) using MTT assay	ChEMBL.	15225719
IC50 (functional)	= 1.42 ug ml-1	In vitro cytotoxocity against HCT-8 cell line (human colon cancer) using MTT assay	ChEMBL.	15225719

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15225719

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 321967