TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 551.081 | Formula: C23H27ClN6O4S2
H donors: 3 H acceptors: 5 LogP: 2.12 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CN1CCc2c(C1)sc(n2)C(=O)NC1CN(CCC1NC(=O)c1cc2c([nH]1)ccc(c2)Cl)S(=O)(=O)C
InChi: 1S/C23H27ClN6O4S2/c1-29-7-5-17-20(12-29)35-23(28-17)22(32)27-19-11-30(36(2,33)34)8-6-16(19)26-21(31)18-10-13-9-14(24)3-4-15(13)25-18/h3-4,9-10,16,19,25H,5-8,11-12H2,1-2H3,(H,26,31)(H,27,32)
InChiKey: JYKZDTHDFRXKQT-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	coagulation factor X	Starlite/ChEMBL	References

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
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0066	0.0621	0.0603
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0065	0.018
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0012	0.002	0.0027
Echinococcus multilocularis	fibrillin 1	0.0016	0.0065	0.018
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0272	0.0753
Onchocerca volvulus		0.0045	0.039	0.2028
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0045	0.039	0.053
Brugia malayi	hypothetical protein	0.0045	0.039	0.053
Mycobacterium ulcerans	sugar transporter	0.0045	0.039	0.0524
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0048	0.0418	0.0561
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0583	0.0791
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0998	0.2866
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0012	0.002	0.0021
Toxoplasma gondii	ABC1 family protein	0.0035	0.0272	0.0364
Brugia malayi	lysyl-tRNA synthetase	0.0048	0.0418	0.0567
Brugia malayi	Sugar transporter family protein	0.0045	0.039	0.053
Trichomonas vaginalis	sugar transporter, putative	0.01	0.0998	0.2866
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0066	0.0621	0.0603
Onchocerca volvulus		0.0045	0.039	0.2028
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Echinococcus granulosus	calcium dependent protein kinase	0.0062	0.057	0.1578
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.018
Trypanosoma brucei	THT1 - hexose transporter, putative	0.01	0.0998	0.135
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0066	0.0621	0.0843
Echinococcus multilocularis	laminin	0.0016	0.0065	0.018
Echinococcus granulosus	laminin	0.0016	0.0065	0.018
Leishmania major	glucose transporter, lmgt3	0.01	0.0998	0.135
Schistosoma mansoni	protein kinase	0.0066	0.0621	0.0843
Brugia malayi	hypothetical protein	0.0045	0.039	0.053
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0272	0.0369
Toxoplasma gondii	glycyl-tRNA synthetase	0.0012	0.002	0.0021
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0037	0.0297	0.0822
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0272	0.0369
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0272	0.0364
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0064	0.06	0.0815
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0012	0.002	0.0021
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0066	0.0621	0.1719
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0045	0.039	0.108
Entamoeba histolytica	hypothetical protein	0.0038	0.0303	0.1016
Leishmania major	myo-inositol/proton symporter (MIT)	0.0045	0.039	0.0524
Plasmodium vivax	sugar transporter, putative	0.0045	0.039	0.0371
Onchocerca volvulus		0.0045	0.039	0.2028
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0272	0.0364
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0263	0.2807	0.7768
Chlamydia trachomatis	lysine--tRNA ligase	0.0048	0.0418	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.06	0.1662
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0263	0.2807	0.8081
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0263	0.2807	0.8081
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0583	0.1668
Brugia malayi	Major Facilitator Superfamily protein	0.0045	0.039	0.053
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0066	0.0621	0.0603
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0012	0.002	0.0021
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0066	0.0621	0.1719
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0272	0.0772
Onchocerca volvulus		0.0045	0.039	0.2028
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0045	0.039	0.108
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Schistosoma mansoni	sodium/solute symporter	0.0037	0.0297	0.0403
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0045	0.039	0.108
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0045	0.039	0.0524
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0012	0.002	0.0021
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0674	0.7367	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0272	0.0772
Echinococcus multilocularis	solute carrier family 5	0.0037	0.0297	0.0822
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0272	0.0364
Echinococcus multilocularis	high affinity choline transporter 1	0.0336	0.3614	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0263	0.2807	0.7768
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0466	0.1291
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0911	1	1
Onchocerca volvulus		0.0045	0.039	0.2028
Loa Loa (eye worm)	sugar transporter	0.0323	0.3473	0.961
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0272	0.0753
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Onchocerca volvulus	Arrow homolog	0.0016	0.0065	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0674	0.7367	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Schistosoma mansoni	sugar transporter	0.0045	0.039	0.053
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0674	0.7367	1
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0045	0.039	0.0524
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0045	0.039	0.0371
Entamoeba histolytica	hypothetical protein	0.0048	0.0418	0.1427
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0272	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0263	0.2807	1
Mycobacterium ulcerans	lipase LipD	0.0035	0.0272	0.0364
Echinococcus granulosus	synaptic vesicle 2 protein	0.0045	0.039	0.108
Trypanosoma cruzi	hexose transporter, putative	0.01	0.0998	0.135
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0297	0.0822
Trichomonas vaginalis	sugar transporter, putative	0.01	0.0998	0.2866
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Leishmania major	glucose transporter, lmgt2	0.01	0.0998	0.135
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.039	0.1113
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0063	0.0583	0.0786
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0012	0.002	0.0021
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0064	0.06	0.081
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0045	0.039	0.108
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0674	0.7367	1
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0012	0.002	0.0055
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0037	0.0297	0.0822
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0012	0.002	0.0045
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Brugia malayi	MAP kinase sur-1	0.0063	0.0583	0.0791
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0063	0.0583	0.1613
Schistosoma mansoni	inositol transporter	0.0037	0.0297	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0272	0.0364
Entamoeba histolytica	hypothetical protein	0.0038	0.0303	0.1016
Echinococcus multilocularis	solute carrier family 22	0.0045	0.039	0.108
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0272	0.0753
Echinococcus granulosus	solute carrier family 22	0.0045	0.039	0.108
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0337	0.0452
Schistosoma mansoni	glycyl-tRNA synthetase	0.0012	0.002	0.0027
Trypanosoma cruzi	glucose transporter, putative	0.0045	0.039	0.0524
Trypanosoma brucei	THT1 - hexose transporter, putative	0.01	0.0998	0.135
Trichomonas vaginalis	sugar transport protein, putative	0.0045	0.039	0.1113
Trypanosoma cruzi	hexose transporter, putative	0.0045	0.039	0.0524
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0037	0.0297	0.0822
Plasmodium falciparum	protein kinase 7	0.0607	0.6621	0.6614
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0037	0.0297	0.0398
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0064	0.06	0.2083
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0674	0.7367	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0303	0.0839
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0263	0.2807	0.3807
Trypanosoma brucei	glucose transporter 2A	0.01	0.0998	0.135
Onchocerca volvulus		0.0045	0.039	0.2028
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0064	0.06	0.0815
Echinococcus multilocularis	calcium dependent protein kinase	0.0062	0.057	0.1578
Trichomonas vaginalis	glucose transporter, putative	0.01	0.0998	0.2866
Onchocerca volvulus		0.0035	0.0272	0.1414
Trichomonas vaginalis	esterase, putative	0.0035	0.0272	0.0772
Echinococcus granulosus	solute carrier family 5	0.0037	0.0297	0.0822
Trichomonas vaginalis	glucose transporter, putative	0.01	0.0998	0.2866
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Schistosoma mansoni	glucose transporter	0.0045	0.039	0.053
Onchocerca volvulus	Putative transporter	0.0045	0.039	0.2028
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0583	0.1668
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0272	0.0364
Echinococcus granulosus	Tolloid protein 1	0.0016	0.0065	0.018
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0063	0.0583	0.0786
Schistosoma mansoni	glucose transport protein	0.0323	0.3473	0.4714
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0222	0.2353	0.319
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0066	0.0621	0.0838
Brugia malayi	Sugar transporter family protein	0.0323	0.3473	0.4714
Brugia malayi	Major Facilitator Superfamily protein	0.0045	0.039	0.053
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0066	0.0621	0.0603
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0066	0.0621	0.0603
Brugia malayi	beta-lactamase	0.0035	0.0272	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.018
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0376	0.1042
Schistosoma mansoni	high-affinity choline transporter	0.0336	0.3614	0.4905
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0063	0.0583	0.0786
Echinococcus granulosus	mitogen activated protein kinase	0.0063	0.0583	0.1613
Leishmania major	hypothetical protein, conserved	0.0045	0.039	0.0524
Echinococcus granulosus	lysyl tRNA synthetase	0.0048	0.0418	0.1155
Leishmania major	dihydroorotate dehydrogenase	0.0674	0.7367	1
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0075	0.0719	0.097
Echinococcus granulosus	solute carrier family 22	0.0045	0.039	0.108
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0674	0.7367	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Trypanosoma cruzi	hexose transporter, putative	0.01	0.0998	0.135
Schistosoma mansoni	sugar transporter	0.0045	0.039	0.053
Plasmodium vivax	lysine--tRNA ligase, putative	0.0048	0.0418	0.0398
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0347	0.374	0.3728
Trichomonas vaginalis	glucose transporter, putative	0.0045	0.039	0.1113
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0272	0.0364
Brugia malayi	beta-lactamase family protein	0.0035	0.0272	0.0369
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0064	0.06	0.0815
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0272	0.0364
Onchocerca volvulus		0.0045	0.039	0.2028
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0272	0.0753
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0272	0.0364
Giardia lamblia	Kinase, CMGC MAPK	0.0063	0.0583	0.9699
Brugia malayi	Cam kinase protein 1	0.0066	0.0621	0.0843
Schistosoma mansoni	protein kinase	0.0066	0.0621	0.0843
Onchocerca volvulus		0.0045	0.039	0.2028
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0272	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.018
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Trypanosoma cruzi	hexose transporter, putative	0.0055	0.0494	0.0665
Schistosoma mansoni	sugar transporter	0.0045	0.039	0.053
Onchocerca volvulus		0.0035	0.0272	0.1414
Trichomonas vaginalis	conserved hypothetical protein	0.01	0.0998	0.2866
Schistosoma mansoni	hypothetical protein	0.0038	0.0303	0.0412
Giardia lamblia	Hexose transporter	0.0045	0.039	0.6379
Brugia malayi	Sodium:solute symporter family protein	0.0037	0.0297	0.0403
Trichomonas vaginalis	sugar transporter, putative	0.01	0.0998	0.2866
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0303	0.0839
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0674	0.7367	1
Onchocerca volvulus		0.0037	0.0297	0.1544
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0012	0.002	0.0055
Plasmodium vivax	hexose transporter	0.0323	0.3473	0.346
Echinococcus multilocularis	glycyl tRNA synthetase	0.0012	0.002	0.0055
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0048	0.0418	0.0561
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0016	0.0065	0.018
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.039	0.1113
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0064	0.06	0.1662
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0376	0.0511
Brugia malayi	Fibulin-1 precursor	0.0016	0.0065	0.0088
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0272	0.0364
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0066	0.0621	0.0838
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0065	0.0088
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0272	0.0364
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Brugia malayi	Calcium binding EGF domain containing protein	0.0016	0.0065	0.0088
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0045	0.039	0.0524
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0066	0.0621	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Giardia lamblia	Prolyl-tRNA synthetase	0.0064	0.06	1
Entamoeba histolytica	protein kinase, putative	0.0066	0.0621	0.2157
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0272	0.0753
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0272	0.0364
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0048	0.0418	0.0561
Plasmodium vivax	proline--tRNA ligase, putative	0.0075	0.0719	0.07
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0272	0.0364
Schistosoma mansoni	sugar transporter	0.0045	0.039	0.053
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0066	0.0621	0.0603
Echinococcus granulosus	glycyl tRNA synthetase	0.0012	0.002	0.0055
Entamoeba histolytica	protein kinase, putative	0.0066	0.0621	0.2157
Giardia lamblia	Sugar-proton symporter	0.0045	0.039	0.6379
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0064	0.06	0.1662
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0063	0.0583	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Toxoplasma gondii	lysine-tRNA ligase	0.0048	0.0418	0.0561
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0065	0.0082
Brugia malayi	glycyl-tRNA synthetase	0.0012	0.002	0.0027
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Toxoplasma gondii	protein kinase, putative	0.0607	0.6621	0.8986
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0063	0.0583	0.0786
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0272	0.0364
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0376	0.0511
Echinococcus granulosus	solute carrier family 22	0.0045	0.039	0.108
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0063	0.0583	0.0786
Trypanosoma brucei	sugar transporter, putative	0.0045	0.039	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1924	0.5324
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0026	0.0179	0.0496
Toxoplasma gondii	facilitative glucose transporter GT1	0.0323	0.3473	0.4711
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0583	0.1668
Onchocerca volvulus		0.0045	0.039	0.2028
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Leishmania major	hypothetical protein, conserved	0.0035	0.0272	0.0364
Trichomonas vaginalis	myo-inositol transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0016	0.0065	0.018
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0075	0.0719	0.097
Schistosoma mansoni	egf-like domain protein	0.0016	0.0065	0.0088
Leishmania major	protein kinase, putative	0.0066	0.0621	0.0838
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0272	0.0364
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.039	0.1113
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0012	0.002	0.0021
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0376	0.1042
Brugia malayi	hypothetical protein	0.0045	0.039	0.053
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0066	0.0621	0.0838
Toxoplasma gondii	sugar transporter ST1	0.0045	0.039	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Onchocerca volvulus		0.0045	0.039	0.2028
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Schistosoma mansoni	glucose transport protein	0.0323	0.3473	0.4714
Onchocerca volvulus		0.0045	0.039	0.2028
Schistosoma mansoni	lysyl-tRNA synthetase	0.0048	0.0418	0.0567
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0376	0.1042
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0272	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0012	0.002	0.0055
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0045	0.039	0.0524
Echinococcus granulosus	solute carrier family 22	0.0045	0.039	0.108
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0066	0.0621	0.1719
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Onchocerca volvulus		0.0045	0.039	0.2028
Schistosoma mansoni	hypothetical protein	0.0195	0.2053	0.2786
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.039	0.1113
Trypanosoma brucei	protein kinase, putative	0.0063	0.0583	0.0786
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Echinococcus multilocularis	solute carrier family 22	0.0045	0.039	0.108
Trypanosoma brucei	THT1 - hexose transporter, putative	0.01	0.0998	0.135
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0041	0.0337	0.0452
Echinococcus multilocularis	mitogen activated protein kinase	0.0063	0.0583	0.1613
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0063	0.0583	0.1613
Echinococcus multilocularis	solute carrier family 22	0.0045	0.039	0.108
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0272	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0336	0.3614	1
Plasmodium falciparum	hexose transporter	0.0323	0.3473	0.346
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0621	0.1719
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0263	0.2807	0.8081
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0048	0.0418	0.0561
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0263	0.2807	0.8081
Loa Loa (eye worm)	sugar transporter	0.0045	0.039	0.108
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0263	0.2807	0.7768
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0048	0.0418	0.1191
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.0012	0.002	0.0055
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.039	0.1113
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Toxoplasma gondii	sugar transporter ST3	0.0045	0.039	0.0524
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0045	0.039	0.0504
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0023	0.0138	0.0182
Giardia lamblia	Lysyl-tRNA synthetase	0.0048	0.0418	0.6849
Brugia malayi	major facilitator superfamily protein	0.0045	0.039	0.053
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0263	0.2807	0.7768
Onchocerca volvulus		0.0045	0.039	0.2028
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0418	0.1155
Treponema pallidum	prolyl-tRNA synthetase	0.0023	0.0138	1
Brugia malayi	Sugar transporter family protein	0.0045	0.039	0.053
Echinococcus granulosus	sodium:glucose cotransporter	0.0037	0.0297	0.0822
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0075	0.0719	0.097
Schistosoma mansoni	inositol transporter	0.0037	0.0297	0.0403
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0674	0.7367	1
Echinococcus multilocularis	General substrate transporter	0.0278	0.2968	0.8214
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Toxoplasma gondii	sugar transporter ST2	0.0045	0.039	0.0524
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0045	0.039	0.108
Brugia malayi	GH02984p	0.0336	0.3614	0.4905
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0376	0.1042
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0347	0.374	0.3728
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0063	0.0583	0.0786
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0263	0.2807	0.8081
Schistosoma mansoni	protein kinase	0.0066	0.0621	0.0843
Onchocerca volvulus		0.0045	0.039	0.2028
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0066	0.0621	0.0603
Trichomonas vaginalis	CAMK family protein kinase	0.0066	0.0621	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0065	0.0082
Brugia malayi	major facilitator superfamily protein	0.0045	0.039	0.053
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0272	0.0364
Leishmania major	lysyl-tRNA synthetase, putative	0.0048	0.0418	0.0561
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0272	0.0364
Brugia malayi	hypothetical protein	0.0038	0.0303	0.0412
Toxoplasma gondii	transporter, major facilitator family protein	0.0045	0.039	0.0524
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0323	0.3473	0.961
Entamoeba histolytica	hypothetical protein	0.0038	0.0303	0.1016
Onchocerca volvulus		0.0045	0.039	0.2028
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Plasmodium falciparum	lysine--tRNA ligase	0.0048	0.0418	0.0398
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0064	0.06	0.0815
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0012	0.002	0.0055
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0037	0.0297	0.0822
Brugia malayi	beta-lactamase family protein	0.0035	0.0272	0.0369
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0376	0.0511
Trypanosoma brucei	glucose transporter 1E	0.01	0.0998	0.135
Echinococcus granulosus	high affinity choline transporter 1	0.0336	0.3614	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0272	0.0772
Trypanosoma cruzi	hexose transporter	0.01	0.0998	0.135
Chlamydia trachomatis	proline--tRNA ligase	0.0023	0.0138	0.2978
Entamoeba histolytica	hypothetical protein	0.0038	0.0303	0.1016
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0272	0.0772
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0075	0.0719	0.097
Onchocerca volvulus		0.0035	0.0272	0.1414
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0066	0.0621	0.0838
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0075	0.0719	0.097
Schistosoma mansoni	hypothetical protein	0.0195	0.2053	0.2786
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0323	0.3473	0.961
Leishmania major	threonyl-tRNA synthetase, putative	0.0012	0.002	0.0021
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Leishmania major	glucose transporter/membrane transporter D2, putative	0.01	0.0998	0.135
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0075	0.0719	0.097
Brugia malayi	probable proline-trna synthetase - fission yeast, putative	0.0012	0.002	0.0027
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0303	0.0412
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0037	0.0297	0.0822
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0045	0.039	0.0524
Trichomonas vaginalis	conserved hypothetical protein	0.0323	0.3473	1
Echinococcus multilocularis	solute carrier family 22	0.0045	0.039	0.108
Schistosoma mansoni	lysyl-tRNA synthetase	0.0048	0.0418	0.0567
Brugia malayi	N-terminal motif family protein	0.0184	0.1924	0.2611
Schistosoma mansoni	glucose transport protein	0.0323	0.3473	0.4714
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0347	0.374	0.5074
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0674	0.7367	1
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0041	0.0337	0.0452
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Onchocerca volvulus		0.0045	0.039	0.2028
Echinococcus multilocularis	Tolloid protein 1	0.0016	0.0065	0.018
Brugia malayi	Zinc finger, C2H2 type family protein	0.0263	0.2807	0.381
Echinococcus granulosus	General substrate transporter	0.0278	0.2968	0.8214
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0042	0.0352	0.1002
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0674	0.7367	0.7362
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0674	0.7367	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0263	0.2807	0.8081
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0012	0.002	0.0021
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0272	0.0369
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0674	0.7367	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0066	0.0621	0.0603
Echinococcus multilocularis	geminin	0.0195	0.2053	0.568
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0037	0.0297	0.0822
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0376	0.1042
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0012	0.002	0.0021
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0048	0.0418	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Trypanosoma cruzi	sugar transporter, putative	0.0045	0.039	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0064	0.06	0.1662
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0272	0.0753
Schistosoma mansoni	hypothetical protein	0.0323	0.3473	0.4714
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.018
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0064	0.06	0.1719
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0674	0.7367	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0066	0.0621	0.1719
Echinococcus multilocularis	lysyl tRNA synthetase	0.0048	0.0418	0.1155
Trypanosoma brucei	glucose transporter, putative	0.01	0.0998	0.135
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0272	0.0253
Plasmodium falciparum	proline--tRNA ligase	0.0075	0.0719	0.07
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0016	0.0065	0.0088
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0272	0.0364
Echinococcus granulosus	geminin	0.0195	0.2053	0.568
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0272	0.0364
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0063	0.0583	0.0786
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0272	0.0753
Trypanosoma cruzi	hexose transporter, putative	0.01	0.0998	0.135
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0674	0.7367	0.7362
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0184	0.1924	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0376	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0065	0.018
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0012	0.002	0.0021
Trichomonas vaginalis	sugar transporter, putative	0.0045	0.039	0.1113
Echinococcus granulosus	mitogen activated protein kinase 3	0.0063	0.0583	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0272	0.0753
Leishmania major	glucose transporter, lmgt1	0.01	0.0998	0.135
Brugia malayi	Major Facilitator Superfamily protein	0.0045	0.039	0.053
Schistosoma mansoni	serine/threonine protein kinase	0.0066	0.0621	0.0843
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0583	0.1668
Loa Loa (eye worm)	hypothetical protein	0.0045	0.039	0.108
Mycobacterium ulcerans	integral membrane transport protein	0.0045	0.039	0.0524

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 2.5 uM	Anticoagulant activity in human plasma assessed as concentration required to double prothrombin time	ChEMBL.	18039572
IC50 (binding)	= 28 nM	Inhibition of human factor 10a	ChEMBL.	18039572
IC50 (binding)	= 28 nM	Inhibition of human factor 10a	ChEMBL.	18039572
Solubility	= 103 ug ml-1	Solubility in japanese pharmacopoeia second fluid at pH 6.8	ChEMBL.	18039572

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.

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External resources for this compound

ChEMBL: CHEMBL444898

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 520038