TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.191 | Formula: C18H21Cl4N3O
H donors: 1 H acceptors: 2 LogP: 5.87 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCNC(=O)c1cccc2c1nc1cccc(c1c2)Cl)C.Cl.Cl.Cl
InChi: 1S/C18H18ClN3O.3ClH/c1-22(2)10-9-20-18(23)13-6-3-5-12-11-14-15(19)7-4-8-16(14)21-17(12)13;;;/h3-8,11H,9-10H2,1-2H3,(H,20,23);3*1H
InChiKey: BMKSMLRCZKMARF-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

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
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0008	0.0042
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0099	0.0392	0.044
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Schistosoma mansoni	protein kinase	0.0099	0.0392	0.0384
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0025	0.002
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0025	0.0528
Echinococcus granulosus	solute carrier family 22	0.0045	0.0037	0.0029
Brugia malayi	phosphofructokinase	0.0107	0.0445	0.2312
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854
Loa Loa (eye worm)	inositol-1	0.0044	0.0033	0.0177
Trypanosoma cruzi	glucose transporter, putative	0.0045	0.0037	0.0137
Plasmodium falciparum	lysine--tRNA ligase	0.0072	0.0212	0.0234
Trichomonas vaginalis	sugar transporter, putative	0.0099	0.0397	0.2023
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0033	0.004
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854
Echinococcus granulosus	mitogen activated protein kinase 3	0.0059	0.0131	0.0123
Schistosoma mansoni	sugar transporter	0.0045	0.0037	0.0029
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0445	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0099	0.0397	0.1752
Echinococcus multilocularis	6 phosphofructokinase	0.0107	0.0445	0.0438
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0099	0.0392	0.044
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0025	0.0018
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0099	0.0392	0.044
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0099	0.0397	0.1752
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0045	0.0037	0.0106
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0099	0.0392	0.044
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Toxoplasma gondii	protein kinase, putative	0.0906	0.5736	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0172	0.0877	0.4069
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Echinococcus granulosus	lysyl tRNA synthetase	0.0072	0.0212	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0008	0.0042
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0045	0.0037	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Onchocerca volvulus		0.0043	0.0025	0.0251
Toxoplasma gondii	lysine-tRNA ligase	0.0072	0.0212	0.0357
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0037	0.0063
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0025	0.0071
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0096	0.0375	0.1942
Brugia malayi	hypothetical protein	0.0147	0.0714	0.3736
Trypanosoma cruzi	hexose transporter	0.0099	0.0397	0.182
Echinococcus granulosus	solute carrier family 22	0.0045	0.0037	0.0029
Plasmodium vivax	sugar transporter, putative	0.0045	0.0037	0.0033
Plasmodium vivax	hexose transporter	0.0321	0.186	0.212
Brugia malayi	major facilitator superfamily protein	0.0045	0.0037	0.0155
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Brugia malayi	Major Facilitator Superfamily protein	0.0045	0.0037	0.0155
Echinococcus multilocularis	tumor protein p63	0.0358	0.2111	0.2105
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0137
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0096	0.0375	0.0368
Brugia malayi	beta-lactamase	0.0043	0.0025	0.0094
Onchocerca volvulus		0.0045	0.0037	0.0414
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0099	0.0392	0.044
Onchocerca volvulus		0.0043	0.0025	0.0251
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0112	0.0481	0.2214
Trypanosoma cruzi	hexose transporter, putative	0.0099	0.0397	0.182
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0195	0.1051
Onchocerca volvulus		0.0045	0.0037	0.0414
Echinococcus granulosus	6 phosphofructokinase	0.0107	0.0445	0.0438
Mycobacterium ulcerans	lipase LipD	0.0043	0.0025	0.005
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0099	0.0392	0.0384
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0363	0.2144	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0392	0.2105
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0096	0.0375	0.0368
Onchocerca volvulus		0.0045	0.0037	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0096	0.0375	0.0368
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0059	0.0131	0.0215
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0025	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0037	0.0063
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0445	0.2287
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0045	0.0037	0.0029
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0041	0.0008	0.0017
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0107	0.0445	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0363	0.2144	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0445	0.2287
Plasmodium vivax	proline--tRNA ligase, putative	0.0112	0.0481	0.0541
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0172	0.0877	0.402
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus multilocularis	microtubule associated protein 2	0.155	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0577	0.3559	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0172	0.0877	0.4069
Trypanosoma brucei	protein kinase, putative	0.0059	0.0131	0.0499
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Giardia lamblia	Kinase, CMGC MAPK	0.0059	0.0131	0.2783
Schistosoma mansoni	sugar transporter	0.0045	0.0037	0.0029
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0063	0.0154	0.07
Onchocerca volvulus		0.0045	0.0037	0.0414
Plasmodium falciparum	hexose transporter	0.0321	0.186	0.212
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0445	0.2287
Toxoplasma gondii	sugar transporter ST1	0.0045	0.0037	0.0051
Echinococcus multilocularis	General substrate transporter	0.0275	0.1562	0.1555
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0326	0.1899	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0577	0.3559	1
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0045	0.0037	0.0029
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Onchocerca volvulus		0.0045	0.0037	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0099	0.0392	0.2029
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0033	0.0025
Brugia malayi	Sugar transporter family protein	0.0321	0.186	0.9793
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0045	0.0037	0.0029
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0045	0.0037	0.0106
Schistosoma mansoni	lysyl-tRNA synthetase	0.0072	0.0212	0.0205
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0518	0.317	0.3619
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0099	0.0392	0.044
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0445	1
Onchocerca volvulus		0.0045	0.0037	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0137
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0025	0.0137
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.0445	0.2047
Mycobacterium ulcerans	6-phosphofructokinase	0.0107	0.0445	0.1231
Leishmania major	mitochondrial DNA polymerase beta	0.0363	0.2144	1
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0045	0.0037	0.0199
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.0355	0.191
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.0392	0.1995
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0077	0.0324
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0096	0.0375	0.0368
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.0131	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0212	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0008	0.0042
Brugia malayi	hypothetical protein	0.0045	0.0037	0.0155
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0045	0.0037	0.0029
Mycobacterium tuberculosis	Possible oxidoreductase	0.0041	0.0008	0.0017
Trypanosoma brucei	glucose transporter 1E	0.0099	0.0397	0.1752
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0131	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0137
Toxoplasma gondii	hypothetical protein	0.0059	0.0127	0.0208
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0355	0.0348
Mycobacterium ulcerans	hypothetical protein	0.0191	0.1006	0.281
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0045	0.0037	0.0082
Brugia malayi	Major Facilitator Superfamily protein	0.0045	0.0037	0.0155
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0096	0.0375	0.8304
Leishmania major	myo-inositol/proton symporter (MIT)	0.0045	0.0037	0.0137
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0025	0.0137
Brugia malayi	6-phosphofructokinase	0.0107	0.0445	0.2312
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0099	0.0392	0.044
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0077	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Brugia malayi	Major Facilitator Superfamily protein	0.0045	0.0037	0.0155
Schistosoma mansoni	sugar transporter	0.0045	0.0037	0.0029
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0099	0.0392	0.2105
Trichomonas vaginalis	conserved hypothetical protein	0.0099	0.0397	0.2023
Trichomonas vaginalis	inositol monophosphatase, putative	0.0044	0.0033	0.004
Echinococcus granulosus	synaptic vesicle 2 protein	0.0045	0.0037	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0137
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0025	0.0018
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0025	0.0071
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0072	0.0212	0.0576
Trypanosoma brucei	glucose transporter 2A	0.0099	0.0397	0.1752
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0025	0.0071
Entamoeba histolytica	protein kinase, putative	0.0099	0.0392	0.8701
Schistosoma mansoni	protein kinase	0.0099	0.0392	0.0384
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Brugia malayi	Sugar transporter family protein	0.0045	0.0037	0.0155
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0119	0.0527	0.0519
Echinococcus multilocularis	lysyl tRNA synthetase	0.0072	0.0212	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0714	0.3841
Schistosoma mansoni	inositol monophosphatase	0.0044	0.0033	0.0025
Schistosoma mansoni	hypothetical protein	0.0321	0.186	0.1854
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0191	0.1006	0.3052
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0375	0.2017
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.0445	0.0438
Onchocerca volvulus		0.0045	0.0037	0.0414
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0355	0.0348
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0355	0.0348
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus multilocularis	solute carrier family 22	0.0045	0.0037	0.0029
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0059	0.0131	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0654	0.3513
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0045	0.0037	0.0033
Mycobacterium ulcerans	sugar transporter	0.0045	0.0037	0.0082
Loa Loa (eye worm)	sugar transporter	0.0045	0.0037	0.0199
Giardia lamblia	Lysyl-tRNA synthetase	0.0072	0.0212	0.5182
Trypanosoma cruzi	sugar transporter, putative	0.0045	0.0037	0.0137
Leishmania major	glucose transporter, lmgt1	0.0099	0.0397	0.182
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0059	0.0131	0.0577
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0025	0.0083
Onchocerca volvulus		0.0045	0.0037	0.0414
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0072	0.0212	0.0576
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0112	0.0481	0.2148
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0086	0.0078
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854
Echinococcus multilocularis	solute carrier family 22	0.0045	0.0037	0.0029
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0099	0.0397	0.1752
Brugia malayi	hypothetical protein	0.0045	0.0037	0.0155
Onchocerca volvulus		0.0045	0.0037	0.0414
Leishmania major	protein kinase, putative	0.0099	0.0392	0.1796
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0025	0.0071
Schistosoma mansoni	sugar transporter	0.0045	0.0037	0.0029
Brugia malayi	MAP kinase sur-1	0.0059	0.0131	0.0652
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.0445	0.2393
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0112	0.0481	0.2214
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0099	0.0392	0.2105
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0025	0.005
Onchocerca volvulus		0.0045	0.0037	0.0414
Trypanosoma brucei	sugar transporter, putative	0.0045	0.0037	0.0054
Trichomonas vaginalis	sugar transporter, putative	0.0099	0.0397	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0257	0.1441	0.7748
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0059	0.0131	0.0577
Plasmodium vivax	lysine--tRNA ligase, putative	0.0072	0.0212	0.0234
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0355	0.0348
Schistosoma mansoni	serine/threonine protein kinase	0.0059	0.0131	0.0123
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0025	0.0071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0355	0.0348
Schistosoma mansoni	glucose transport protein	0.0321	0.186	0.1854
Mycobacterium ulcerans	integral membrane transport protein	0.0045	0.0037	0.0082
Echinococcus multilocularis	solute carrier family 22	0.0045	0.0037	0.0029
Leishmania major	hypothetical protein, conserved	0.0043	0.0025	0.0083
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0033	0.0118
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0099	0.0392	0.044
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Leishmania major	glucose transporter, lmgt2	0.0099	0.0397	0.182
Trichomonas vaginalis	conserved hypothetical protein	0.0099	0.0397	0.2023
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0044	0.0033	0.0071
Trichomonas vaginalis	sugar transporter, putative	0.0099	0.0397	0.2023
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854
Brugia malayi	Sugar transporter family protein	0.0045	0.0037	0.0155
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0321	0.186	0.1854
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0112	0.0481	0.2214
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0096	0.0375	0.1906
Onchocerca volvulus	Putative transporter	0.0045	0.0037	0.0414
Echinococcus granulosus	inositol monophosphatase 1	0.0044	0.0033	0.0025
Echinococcus granulosus	tumor protein p63	0.0358	0.2111	0.2105
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.0445	0.2393
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0086	0.0462
Onchocerca volvulus		0.0045	0.0037	0.0414
Onchocerca volvulus		0.0045	0.0037	0.0414
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus granulosus	calcium dependent protein kinase	0.0092	0.0348	0.0341
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0107	0.0445	0.1347
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0025	0.0083
Onchocerca volvulus		0.0045	0.0037	0.0414
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0099	0.0392	0.1728
Onchocerca volvulus	Huntingtin homolog	0.0147	0.0714	1
Echinococcus granulosus	General substrate transporter	0.0275	0.1562	0.1555
Leishmania major	ATP-dependent phosphofructokinase	0.0107	0.0445	0.2047
Echinococcus granulosus	mitogen activated protein kinase	0.0059	0.0131	0.0123
Plasmodium falciparum	protein kinase 6	0.1361	0.8746	1
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Toxoplasma gondii	transporter, major facilitator family protein	0.0045	0.0037	0.0051
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0445	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0037	0.0063
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0072	0.0212	0.0882
Onchocerca volvulus		0.0045	0.0037	0.0414
Toxoplasma gondii	ABC1 family protein	0.0043	0.0025	0.0031
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0072	0.0212	0.4744
Entamoeba histolytica	protein kinase, putative	0.0099	0.0392	0.8701
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0277	0.1571	0.4771
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0107	0.0445	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Plasmodium vivax	CDK-related protein kinase 6, putative	0.1361	0.8746	1
Trichomonas vaginalis	sugar transport protein, putative	0.0045	0.0037	0.0063
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0072	0.0212	0.0957
Trypanosoma cruzi	hexose transporter, putative	0.0045	0.0037	0.0137
Schistosoma mansoni	serine/threonine protein kinase	0.0099	0.0392	0.0384
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Toxoplasma gondii	facilitative glucose transporter GT1	0.0321	0.186	0.3234
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0976	0.6197	0.6194
Brugia malayi	6-phosphofructokinase	0.0107	0.0445	0.2312
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0537	0.329	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0072	0.0212	1
Schistosoma mansoni	glucose transport protein	0.0321	0.186	0.1854
Giardia lamblia	Prolyl-tRNA synthetase	0.0096	0.0375	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0355	0.0348
Echinococcus granulosus	solute carrier family 22	0.0045	0.0037	0.0029
Trypanosoma cruzi	hexose transporter, putative	0.0099	0.0397	0.182
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0131	0.0576
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0025	0.005
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0041	0.0008	0.0129
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0037	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0375	0.2017
Leishmania major	glucose transporter, lmgt3	0.0099	0.0397	0.182
Onchocerca volvulus		0.0052	0.0086	0.1107
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0025	0.0071
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0025	0.0018
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0059	0.0131	0.0577
Schistosoma mansoni	glucose transport protein	0.0321	0.186	0.1854
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0025	0.0071
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0099	0.0392	0.044
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0044	0.0033	0.004
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0025	0.0071
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0137
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0445	0.2287
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0051	0.0077	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0256	0.1375
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0061	0.0141	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0008	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0714	0.3841
Echinococcus multilocularis	calcium dependent protein kinase	0.0092	0.0348	0.0341
Onchocerca volvulus	Huntingtin homolog	0.0147	0.0714	1
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0061	0.0141	0.3133
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0025	0.005
Trichomonas vaginalis	glucose transporter, putative	0.0099	0.0397	0.2023
Plasmodium falciparum	proline--tRNA ligase	0.0112	0.0481	0.0541
Schistosoma mansoni	lysyl-tRNA synthetase	0.0072	0.0212	0.0205
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0061	0.0141	0.0422
Trypanosoma cruzi	hexose transporter, putative	0.0099	0.0397	0.182
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus granulosus	solute carrier family 22	0.0045	0.0037	0.0029
Trichomonas vaginalis	glucose transporter, putative	0.0045	0.0037	0.0063
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0033	0.0118
Brugia malayi	Cam kinase protein 1	0.0099	0.0392	0.2029
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0025	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0072	0.0212	0.1018
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.0355	0.1837
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.0445	0.0438
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0033	0.0118
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0062	0.0151	0.067
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0059	0.0131	0.0499
Loa Loa (eye worm)	sugar transporter	0.0321	0.186	1
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0045	0.0037	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0008	0.0042
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0059	0.0131	0.0123
Schistosoma mansoni	protein kinase	0.0099	0.0392	0.0384
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0099	0.0392	0.0671
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0099	0.0392	0.0384
Trypanosoma brucei	glucose transporter, putative	0.0099	0.0397	0.1752
Brugia malayi	beta-lactamase family protein	0.0043	0.0025	0.0094
Leishmania major	lysyl-tRNA synthetase, putative	0.0072	0.0212	0.0957
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0037	0.0063
Brugia malayi	major facilitator superfamily protein	0.0045	0.0037	0.0155
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.0445	0.1981
Toxoplasma gondii	sugar transporter ST2	0.0045	0.0037	0.0051
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0355	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0112	0.0481	0.2214
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0025	0.0071
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0025	0.0018
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0099	0.0392	0.0671
Leishmania major	hypothetical protein, conserved	0.0045	0.0037	0.0137
Loa Loa (eye worm)	phosphofructokinase	0.0107	0.0445	0.2393
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0045	0.0037	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0363	0.2144	1
Toxoplasma gondii	sugar transporter ST3	0.0045	0.0037	0.0051
Entamoeba histolytica	hypothetical protein	0.0072	0.0212	0.4351
Brugia malayi	hypothetical protein	0.0045	0.0037	0.0155
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Echinococcus multilocularis	mitogen activated protein kinase	0.0059	0.0131	0.0123
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0044	0.0033	0.0044
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0044	0.0033	0.0035
Trichomonas vaginalis	myo-inositol transporter, putative	0.0045	0.0037	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0025	0.0528
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0059	0.0131	0.0705
Schistosoma mansoni	glucose transporter	0.0045	0.0037	0.0029
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0096	0.0375	0.8422
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0096	0.0375	0.1942
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0051	0.0077	0.0324
Plasmodium falciparum	protein kinase 7	0.0906	0.5736	0.6555
Brugia malayi	Inositol-1	0.0044	0.0033	0.0133
Trichomonas vaginalis	glucose transporter, putative	0.0099	0.0397	0.2023
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0518	0.317	0.5521
Onchocerca volvulus		0.0043	0.0025	0.0251
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0045	0.0037	0.0082
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0131	0.0576
Echinococcus multilocularis	inositol monophosphatase 1	0.0044	0.0033	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0037	0.0199
Echinococcus multilocularis	solute carrier family 22	0.0045	0.0037	0.0029
Brugia malayi	beta-lactamase family protein	0.0043	0.0025	0.0094
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0099	0.0392	0.0671
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0099	0.0397	0.182
Onchocerca volvulus		0.0045	0.0037	0.0414
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0008	0.0042
Onchocerca volvulus		0.0045	0.0037	0.0414
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0518	0.317	0.3619
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.0037	0.0063
Brugia malayi	lysyl-tRNA synthetase	0.0072	0.0212	0.1081
Schistosoma mansoni	microtubule-associated protein tau	0.155	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.0131	0.0576
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0025	0.005
Trichomonas vaginalis	conserved hypothetical protein	0.0321	0.186	1
Trypanosoma cruzi	hexose transporter, putative	0.0054	0.0098	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0025	0.0137
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0059	0.0131	0.0577
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0112	0.0481	0.0826
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0321	0.186	0.1854

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-6.384	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.063	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.059	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.969	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.859	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.684	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.594	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	= 160 nM	Inhibition murine leukemia L1210 cell growth in culture	ChEMBL.	3560161
IC50 (functional)	= 790 nM	Inhibition of human colon tumor (HCT-8) cell growth in culture	ChEMBL.	3560161
ILS (functional)	= 102 %	Percentage increase in life span of tumor bearing animals compared to non treated, tumor-bearing controls when treated at the optimal dose of 65 mg/kg/day intrapertoneally	ChEMBL.	3560161

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	3560161
Mus musculus	ChEMBL23	3560161

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

ChEMBL: CHEMBL3216402

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1862036