TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 348.405 | Formula: C18H20N8
H donors: 4 H acceptors: 4 LogP: 1.99 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: C(Cc1nc[nH]c1)Nc1nnc(c2c1cccc2)NCCc1nc[nH]c1
InChi: 1S/C18H20N8/c1-2-4-16-15(3-1)17(21-7-5-13-9-19-11-23-13)25-26-18(16)22-8-6-14-10-20-12-24-14/h1-4,9-12H,5-8H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChiKey: YJNZTAMBTNJWKY-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
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Schistosoma mansoni	lysyl-tRNA synthetase	0.0098	0.0378	0.0495
Brugia malayi	Sugar transporter family protein	0.0062	0.018	0.0782
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Echinococcus multilocularis	microtubule associated protein 2	0.1404	0.7517	1
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0062	0.018	0.4179
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0134	0.0577	0.0404
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0136	0.0586	0.8525
Plasmodium vivax	proline--tRNA ligase, putative	0.0153	0.0681	0.0675
Toxoplasma gondii	facilitative glucose transporter GT1	0.0438	0.2237	0.3381
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.018	0.0645
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0083	0.0298	0.2471
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.018	0.0645
Schistosoma mansoni	protein kinase	0.0134	0.0577	0.076
Toxoplasma gondii	sugar transporter ST1	0.0062	0.018	0.0264
Echinococcus multilocularis	calcium dependent protein kinase	0.0126	0.0531	0.0699
Toxoplasma gondii	lysine-tRNA ligase	0.0098	0.0378	0.0564
Trichomonas vaginalis	glucose transporter, putative	0.0136	0.0586	0.2491
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.1087	1
Brugia malayi	Pre-SET motif family protein	0.0207	0.0973	0.4337
Entamoeba histolytica	hypothetical protein	0.0098	0.0378	0.4238
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0039	0.0043
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0062	0.018	0.4179
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0134	0.0577	0.0404
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0062	0.018	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0232	0.1113	0.4963
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0232	0.0301
Echinococcus granulosus	lysyl tRNA synthetase	0.0098	0.0378	0.0503
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.0411	0.1818
Onchocerca volvulus		0.0062	0.018	0.1553
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0146
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.2976
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0098	0.0378	0.5287
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0039	0.0051
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0134	0.0577	0.0404
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0039	0.0033
Plasmodium falciparum	protein kinase 7	0.1237	0.6605	0.6542
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.113	0.4963
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.2976
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Schistosoma mansoni	hypothetical protein	0.0071	0.0232	0.0301
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0024	0.0079
Echinococcus multilocularis	solute carrier family 22	0.0062	0.018	0.0232
Schistosoma mansoni	glucose transport protein	0.0438	0.2237	0.297
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0153	0.0681	0.1023
Trypanosoma cruzi	glucose transporter, putative	0.0062	0.018	0.2209
Echinococcus multilocularis	lysyl tRNA synthetase	0.0098	0.0378	0.0495
Echinococcus granulosus	solute carrier family 22	0.0062	0.018	0.024
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0134	0.0577	0.0866
Echinococcus granulosus	microtubule associated protein 2	0.1404	0.7517	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0024	0.0031
Brugia malayi	Sugar transporter family protein	0.0062	0.018	0.0782
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Schistosoma mansoni	protein kinase	0.0134	0.0577	0.076
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.076
Onchocerca volvulus		0.0062	0.018	0.1553
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0146
Onchocerca volvulus		0.0062	0.018	0.1553
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0134	0.0577	0.8379
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0577	0.2558
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0562	0.2492
Trypanosoma cruzi	sugar transporter, putative	0.0062	0.018	0.2209
Leishmania major	protein kinase, putative	0.0134	0.0577	0.8379
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.297
Onchocerca volvulus		0.0062	0.018	0.1553
Toxoplasma gondii	transporter, major facilitator family protein	0.0062	0.018	0.0264
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Onchocerca volvulus		0.0062	0.018	0.1553
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0134	0.0577	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Chlamydia trachomatis	lysine--tRNA ligase	0.0098	0.0378	1
Echinococcus granulosus	General substrate transporter	0.0376	0.19	0.2528
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0103	0.0434
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0062	0.018	0.1353
Leishmania major	glucose transporter, lmgt3	0.0136	0.0586	0.8525
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0086	0.0312	0.1245
Onchocerca volvulus		0.0062	0.018	0.1553
Trypanosoma brucei	glucose transporter 1E	0.0136	0.0586	0.8525
Onchocerca volvulus		0.0036	0.0039	0.029
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Leishmania major	glucose transporter, lmgt2	0.0136	0.0586	0.8525
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0378	0.1668
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0131	0.0562	0.957
Trypanosoma cruzi	hexose transporter, putative	0.0062	0.018	0.2209
Schistosoma mansoni	hypothetical protein	0.0033	0.0024	0.0023
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0131	0.0562	0.2381
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0134	0.0577	0.2558
Onchocerca volvulus		0.0036	0.0039	0.029
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus multilocularis	solute carrier family 22	0.0062	0.018	0.0232
Schistosoma mansoni	sugar transporter	0.0062	0.018	0.0232
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0411	0.1818
Plasmodium vivax	CDK-related protein kinase 6, putative	0.1858	1	1
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0062	0.018	0.1353
Echinococcus multilocularis	General substrate transporter	0.0376	0.19	0.2522
Brugia malayi	major facilitator superfamily protein	0.0062	0.018	0.0782
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0062	0.018	0.5
Brugia malayi	Sugar transporter family protein	0.0438	0.2237	1
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0103	0.0129
Trichomonas vaginalis	glucose transporter, putative	0.0136	0.0586	0.2491
Schistosoma mansoni	hypothetical protein	0.0438	0.2237	0.297
Echinococcus multilocularis	solute carrier family 22	0.0062	0.018	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Echinococcus granulosus	solute carrier family 22	0.0062	0.018	0.024
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0062	0.018	0.024
Schistosoma mansoni	glucose transport protein	0.0438	0.2237	0.297
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0134	0.0577	0.0404
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0098	0.0378	0.6488
Echinococcus multilocularis	solute carrier family 22	0.0062	0.018	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0232	0.1013
Onchocerca volvulus		0.0062	0.018	0.1553
Schistosoma mansoni	hypothetical protein	0.0033	0.0024	0.0023
Onchocerca volvulus		0.0062	0.018	0.1553
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0098	0.0378	1
Toxoplasma gondii	protein kinase, putative	0.1237	0.6605	1
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.018	0.0645
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0136	0.0586	0.8525
Echinococcus granulosus	solute carrier family 22	0.0062	0.018	0.024
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0134	0.0577	0.0571
Schistosoma mansoni	glucose transporter	0.0062	0.018	0.0232
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.076
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0146
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0134	0.0577	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0146
Onchocerca volvulus		0.0062	0.018	0.1553
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0024	0.0031
Loa Loa (eye worm)	sugar transporter	0.0438	0.2237	1
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0024	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Echinococcus granulosus	calcium dependent protein kinase	0.0126	0.0531	0.0707
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0131	0.0562	0.074
Toxoplasma gondii	sugar transporter ST2	0.0062	0.018	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Onchocerca volvulus		0.0036	0.0039	0.029
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0054	0.0139	0.0595
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.297
Brugia malayi	beta-lactamase family protein	0.0036	0.0039	0.0146
Plasmodium falciparum	hexose transporter	0.0438	0.2237	0.2094
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0024	0.0079
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0131	0.0562	0.2492
Leishmania major	glucose transporter, lmgt1	0.0136	0.0586	0.8525
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0232	0.0301
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0024	0.0023
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.0767
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0153	0.0681	1
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0708	0.3711	0.3707
Schistosoma mansoni	sugar transporter	0.0062	0.018	0.0232
Trypanosoma brucei	sugar transporter, putative	0.0062	0.018	0.2209
Toxoplasma gondii	sugar transporter ST3	0.0062	0.018	0.0264
Trichomonas vaginalis	glucose transporter, putative	0.0062	0.018	0.0645
Onchocerca volvulus		0.0235	0.113	1
Trypanosoma cruzi	hexose transporter, putative	0.0136	0.0586	0.8525
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0134	0.0577	0.0866
Schistosoma mansoni	serine/threonine protein kinase	0.0134	0.0577	0.076
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0131	0.0562	0.0747
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0039	0.0146
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0134	0.0577	0.0767
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.076
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0134	0.0577	0.0866
Schistosoma mansoni	glucose transport protein	0.0438	0.2237	0.297
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0024	0.0023
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0134	0.0577	0.2558
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.076
Onchocerca volvulus		0.0062	0.018	0.1553
Brugia malayi	hypothetical protein	0.0232	0.1113	0.4963
Onchocerca volvulus		0.0047	0.0103	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0098	0.0378	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Trichomonas vaginalis	sugar transport protein, putative	0.0062	0.018	0.0645
Schistosoma mansoni	hypothetical protein	0.0033	0.0024	0.0023
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.1113	0.1474
Brugia malayi	lysyl-tRNA synthetase	0.0098	0.0378	0.1668
Echinococcus granulosus	solute carrier family 22	0.0062	0.018	0.024
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.2976
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0131	0.0562	0.074
Trypanosoma cruzi	hexose transporter, putative	0.0136	0.0586	0.8525
Onchocerca volvulus	Putative transporter	0.0062	0.018	0.1553
Onchocerca volvulus		0.0062	0.018	0.1553
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0153	0.0681	1
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Trichomonas vaginalis	sugar transporter, putative	0.0136	0.0586	0.2491
Schistosoma mansoni	microtubule-associated protein tau	0.1404	0.7517	1
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0708	0.3711	0.5614
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.0973	0.4337
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0062	0.018	0.0232
Brugia malayi	beta-lactamase family protein	0.0036	0.0039	0.0146
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.2976
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0708	0.3711	0.3595
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0039	0.0146
Plasmodium falciparum	proline--tRNA ligase	0.0153	0.0681	0.051
Onchocerca volvulus		0.0062	0.018	0.1553
Brugia malayi	hypothetical protein	0.0071	0.0232	0.1013
Treponema pallidum	prolyl-tRNA synthetase	0.0046	0.0098	0.5
Schistosoma mansoni	protein kinase	0.0134	0.0577	0.076
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0131	0.0562	1
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Plasmodium vivax	sugar transporter, putative	0.0062	0.018	0.0175
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0232	0.0309
Plasmodium vivax	hexose transporter	0.0438	0.2237	0.2232
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.0586	0.2491
Trichomonas vaginalis	sugar transporter, putative	0.0136	0.0586	0.2491
Schistosoma mansoni	hypothetical protein	0.0033	0.0024	0.0023
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.0767
Trypanosoma cruzi	hexose transporter	0.0136	0.0586	0.8525
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0232	0.1013
Brugia malayi	hypothetical protein	0.0062	0.018	0.0782
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0098	0.0378	0.1545
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0438	0.2237	0.297
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Onchocerca volvulus		0.0062	0.018	0.1553
Trichomonas vaginalis	conserved hypothetical protein	0.0136	0.0586	0.2491
Plasmodium vivax	lysine--tRNA ligase, putative	0.0098	0.0378	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Brugia malayi	Cam kinase protein 1	0.0134	0.0577	0.2558
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0134	0.0577	0.2558
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0046	0.0098	0.1738
Schistosoma mansoni	lysyl-tRNA synthetase	0.0098	0.0378	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0562	0.2492
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0146
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0024	0.0023
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0098	0.0378	0.5287
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Entamoeba histolytica	protein kinase, putative	0.0134	0.0577	1
Brugia malayi	Major Facilitator Superfamily protein	0.0062	0.018	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0024	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0427	0.1888
Leishmania major	lysyl-tRNA synthetase, putative	0.0098	0.0378	0.5287
Leishmania major	hypothetical protein, conserved	0.0062	0.018	0.2209
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0062	0.018	0.0232
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Entamoeba histolytica	protein kinase, putative	0.0134	0.0577	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0232	0.0301
Echinococcus granulosus	GPCR family 2	0.0033	0.0024	0.0031
Trypanosoma cruzi	hexose transporter, putative	0.0136	0.0586	0.8525
Schistosoma mansoni	sugar transporter	0.0062	0.018	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0153	0.0681	1
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trichomonas vaginalis	CAMK family protein kinase	0.0134	0.0577	0.2448
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0438	0.2237	0.297
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0134	0.0577	0.0571
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0062	0.018	0.0782
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0039	0.0043
Toxoplasma gondii	ABC1 family protein	0.0036	0.0039	0.0049
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0134	0.0577	0.0404
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0062	0.018	0.2209
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0083	0.0298	0.495
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0083	0.0298	0.2471
Loa Loa (eye worm)	sugar transporter	0.0062	0.018	0.0782
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0131	0.0562	0.074
Trichomonas vaginalis	sugar transporter, putative	0.0136	0.0586	0.2491
Leishmania major	myo-inositol/proton symporter (MIT)	0.0062	0.018	0.2209
Trypanosoma brucei	glucose transporter 2A	0.0136	0.0586	0.8525
Mycobacterium ulcerans	sugar transporter	0.0062	0.018	0.4179
Onchocerca volvulus		0.0062	0.018	0.1553
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0153	0.0681	1
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0131	0.0562	0.2492
Echinococcus granulosus	synaptic vesicle 2 protein	0.0062	0.018	0.024
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0006	0.0008
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.1113	0.1481
Schistosoma mansoni	sugar transporter	0.0062	0.018	0.0232
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.0411	0.1818
Brugia malayi	beta-lactamase	0.0036	0.0039	0.0146
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.0411	0.1818
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0039	0.0043
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0062	0.018	0.0782
Trichomonas vaginalis	myo-inositol transporter, putative	0.0062	0.018	0.0645
Giardia lamblia	Lysyl-tRNA synthetase	0.0098	0.0378	0.5182
Brugia malayi	Major Facilitator Superfamily protein	0.0062	0.018	0.0782
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0136	0.0586	0.8525
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.018	0.0645
Onchocerca volvulus		0.0062	0.018	0.1553
Trichomonas vaginalis	sugar transporter, putative	0.0062	0.018	0.0645
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Schistosoma mansoni	hypothetical protein	0.0047	0.0103	0.0129
Onchocerca volvulus		0.0062	0.018	0.1553
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0039	0.0146
Brugia malayi	Major Facilitator Superfamily protein	0.0062	0.018	0.0782
Trichomonas vaginalis	conserved hypothetical protein	0.0438	0.2237	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0153	0.0681	1
Trypanosoma brucei	glucose transporter, putative	0.0136	0.0586	0.8525
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0146
Giardia lamblia	Prolyl-tRNA synthetase	0.0131	0.0562	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0136	0.0586	0.8525
Brugia malayi	major facilitator superfamily protein	0.0062	0.018	0.0782
Mycobacterium ulcerans	integral membrane transport protein	0.0062	0.018	0.4179
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0134	0.0577	0.0767
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.018	0.0645
Plasmodium falciparum	lysine--tRNA ligase	0.0098	0.0378	0.0201
Trypanosoma cruzi	hexose transporter, putative	0.0074	0.025	0.3287
Brugia malayi	hypothetical protein	0.0062	0.018	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0062	0.018	0.0782
Brugia malayi	hypothetical protein	0.0062	0.018	0.0782

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= -10 %	Effect on glucose metabolism in Trypanosoma cruzi IRHOD/VO/2008/SN3 epimastigotes assessed as excreted acetate level at IC25 level incubated for 96 hrs at 38 degC by [1H]NMR spectroscopy	ChEMBL.	23043291
IC50 (functional)	= 18.1 uM	Antitrypanosomal activity against Trypanosoma cruzi IRHOD/VO/2008/SN3 intracellular amastigotes infected in african green monkey Vero cells incubated for 72 hrs	ChEMBL.	23043291
IC50 (binding)	= 125.32 uM	Inhibition of SOD1 in human erythrocytes by spectrophotometry	ChEMBL.	23043291

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23	23043291

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: CHEMBL2179267

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1720829