TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 568.453 | Formula: C19H18F6N8O4S
H donors: 3 H acceptors: 6 LogP: 1.8 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: NC(=N)NCCCNC(=O)c1cnn(c1C(F)(F)F)c1scc(n1)c1cccc(c1)C(F)(F)F.[O-][N+](=O)O
InChi: 1S/C19H17F6N7OS.HNO3/c20-18(21,22)11-4-1-3-10(7-11)13-9-34-17(31-13)32-14(19(23,24)25)12(8-30-32)15(33)28-5-2-6-29-16(26)27;2-1(3)4/h1,3-4,7-9H,2,5-6H2,(H,28,33)(H4,26,27,29);(H,2,3,4)
InChiKey: BPZCSOGOAFQXPR-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	integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	integrin alpha 3	Get druggable targets OG5_129341	All targets in OG5_129341
Brugia malayi	Integrin alpha pat-2 precursor	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma japonicum	IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma japonicum	ko:K06476 integrin alpha 2B, putative	Get druggable targets OG5_129341	All targets in OG5_129341
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129341	All targets in OG5_129341
Echinococcus granulosus	integrin alpha 3	Get druggable targets OG5_129341	All targets in OG5_129341
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129341	All targets in OG5_129341
Loa Loa (eye worm)	integrin alpha pat-2	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma mansoni	integrin alpha	Get druggable targets OG5_129341	All targets in OG5_129341

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	0.0074	0.1193	0.1158
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1193	0.1046
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0198	0.1256
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0028	0.0226	0.0251
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.061	0.329
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0095	0.1623	1
Schistosoma mansoni	hypothetical protein	0.0022	0.012	0.016
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0159	0.0093
Loa Loa (eye worm)	integrin alpha pat-2	0.0285	0.5534	0.5517
Echinococcus multilocularis	kelch ECH associated protein 1	0.0209	0.3965	0.5276
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0276	0.1703
Plasmodium vivax	aldehyde reductase, putative	0.0028	0.0226	0.1499
Echinococcus granulosus	aldehyde reductase	0.0068	0.1053	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1193	0.1158
Brugia malayi	hypothetical protein	0.0019	0.0055	0.0049
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0085	0.1409	0.2594
Echinococcus multilocularis	aldehyde reductase	0.0068	0.1053	0.1363
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0226	0.0227
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0095	0.1623	1
Loa Loa (eye worm)	bromodomain containing protein	0.0023	0.0128	0.0089
Schistosoma mansoni	ran	0.0022	0.0113	0.0151
Brugia malayi	acetyltransferase, GNAT family protein	0.0151	0.277	0.2766
Trypanosoma brucei	aldo/keto reductase, putative	0.0028	0.0226	0.1392
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0575	0.0569
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0028	0.0226	0.0187
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0664	0.0658
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.1623	0.3022
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0501	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0345	0.0307
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0264	0.511	0.5107
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1623	0.159
Leishmania major	hypothetical protein, conserved	0.0026	0.0198	0.1222
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.1193	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0085	0.1409	0.8682
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0651	0.0871
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.1193	0.155
Loa Loa (eye worm)	hypothetical protein	0.014	0.2541	0.2511
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.061	0.329
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0276	0.1703
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.1623	0.1618
Onchocerca volvulus		0.0095	0.1623	0.4931
Mycobacterium ulcerans	beta-lactamase	0.0074	0.1193	0.692
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0085	0.1409	0.1884
Trichomonas vaginalis	glucosylceramidase, putative	0.0183	0.3427	0.6633
Onchocerca volvulus		0.0095	0.1623	0.4931
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0198	0.3355
Onchocerca volvulus		0.0074	0.1193	0.3577
Brugia malayi	hypothetical protein	0.0236	0.4534	0.4531
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0113	0.0074
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0028	0.0226	0.1499
Schistosoma mansoni	loxhd1	0.0019	0.0055	0.0074
Schistosoma mansoni	lipoxygenase	0.0054	0.0774	0.1035
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1193	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0145	0.265	0.2621
Echinococcus multilocularis	integrin alpha ps	0.0083	0.1366	0.1783
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0198	0.0567
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0575	0.072
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0163	0.0166
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0464	0.057
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0028	0.0226	0.022
Entamoeba histolytica	aldose reductase, putative	0.0095	0.1623	0.205
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0039	0.0053
Brugia malayi	Doublecortin family protein	0.0019	0.0055	0.0049
Echinococcus multilocularis	Kelch repeat type 1	0.0209	0.3977	0.5292
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Onchocerca volvulus		0.0095	0.1623	0.4931
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0055	0.0016
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0464	0.057
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Toxoplasma gondii	aldose reductase, putative	0.0095	0.1623	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0113	0.0694
Echinococcus multilocularis	snurportin 1	0.0321	0.6276	0.8382
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1193	0.2161
Echinococcus granulosus	hypothetical protein	0.0095	0.1623	0.2128
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.1193	0.1046
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0028	0.0226	0.0227
Trichomonas vaginalis	aldo-keto reductase, putative	0.0028	0.0226	0.0227
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1193	0.2161
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0039	0.0053
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0664	0.0627
Brugia malayi	hypothetical protein	0.0026	0.0198	0.0192
Onchocerca volvulus		0.0028	0.0226	0.0536
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0085	0.1409	0.1841
Trypanosoma brucei	prostaglandin f synthase	0.0095	0.1623	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0055	0.0022
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.014	0.2541	0.2536
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0209	0.3965	0.5276
Trichomonas vaginalis	aldo-keto reductase, putative	0.0028	0.0226	0.0227
Loa Loa (eye worm)	acetyltransferase	0.0151	0.277	0.2741
Echinococcus multilocularis	geminin	0.0329	0.6448	0.8613
Leishmania major	GTP-binding protein, putative	0.0022	0.0113	0.0694
Schistosoma mansoni	lipoxygenase	0.0019	0.0055	0.0074
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0069	0.1073	0.1389
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0028	0.0226	0.075
Onchocerca volvulus		0.0048	0.0651	0.1874
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0113	0.0106
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0575	0.072
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0664	0.0627
Echinococcus granulosus	kelch ECH associated protein 1	0.0209	0.3965	0.5276
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Trichomonas vaginalis	aldo-keto reductase, putative	0.0028	0.0226	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1193	0.1158
Toxoplasma gondii	aldo-keto reductase	0.0028	0.0226	0.075
Trichomonas vaginalis	glucosylceramidase, putative	0.0183	0.3427	0.6633
Giardia lamblia	Aldose reductase	0.0095	0.1623	1
Leishmania major	prostaglandin f synthase, putative	0.0095	0.1623	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.061	0.0994
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0028	0.0226	0.1392
Echinococcus multilocularis	integrin alpha ps	0.004	0.0476	0.0586
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0575	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0055	0.0016
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0085	0.1409	0.8682
Entamoeba histolytica	hypothetical protein	0.0379	0.748	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0546	0.0509
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0575	0.0769
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1193	0.7349
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0095	0.1623	1
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.012	0.0081
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.2069	0.2037
Brugia malayi	beta-lactamase family protein	0.0074	0.1193	0.1187
Schistosoma mansoni	zinc finger protein	0.0025	0.0171	0.0229
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.4534	0.6041
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0646	0.0609
Onchocerca volvulus		0.0095	0.1623	0.4931
Schistosoma mansoni	transcription factor LCR-F1	0.0379	0.748	1
Echinococcus multilocularis	kelch ECH associated protein 1	0.0209	0.3965	0.5276
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0321	0.6276	0.6261
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0664	0.0658
Brugia malayi	Bromodomain containing protein	0.0045	0.0592	0.0586
Plasmodium falciparum	aldo-keto reductase, putative	0.0028	0.0226	0.4003
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0055	0.0016
Brugia malayi	beta-lactamase family protein	0.0074	0.1193	0.1187
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0151	0.277	0.367
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0276	0.0318
Entamoeba histolytica	hypothetical protein	0.0024	0.0159	0.0063
Onchocerca volvulus		0.0095	0.1623	0.4931
Schistosoma mansoni	integrin alpha-ps	0.0083	0.1366	0.1826
Loa Loa (eye worm)	hypothetical protein	0.003	0.0276	0.0238
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.061	0.4872
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Plasmodium vivax	importin-beta 2, putative	0.003	0.0276	0.1942
Echinococcus granulosus	voltage gated potassium channel subunit	0.0028	0.0226	0.0251
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0055	0.0022
Echinococcus granulosus	importin subunit beta 1	0.003	0.0276	0.0318
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0085	0.1409	0.1884
Loa Loa (eye worm)	oxidoreductase	0.0095	0.1623	0.159
Mycobacterium leprae	Conserved hypothetical protein	0.0068	0.1053	0.5922
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.2631	0.3483
Mycobacterium ulcerans	hypothetical protein	0.0074	0.1193	0.692
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0055	0.0022
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.1623	0.1511
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0198	0.1222
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0113	0.0694
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.511	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.4534	0.6041
Echinococcus granulosus	integrin alpha ps	0.0083	0.1366	0.1783
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Echinococcus multilocularis	ubiquitin specific protease 41	0.0085	0.1409	0.1841
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0039	0.0053
Entamoeba histolytica	hypothetical protein	0.0379	0.748	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0163	0.0218
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.1193	0.692
Schistosoma mansoni	hypothetical protein	0.0329	0.6448	0.862
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0039	0.0053
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.1623	0.1618
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0481	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Brugia malayi	beta-lactamase	0.0074	0.1193	0.1187
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0481	0.2441
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0028	0.0226	0.0154
Schistosoma mansoni	importin beta-1	0.003	0.0276	0.0369
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.1193	0.1187
Onchocerca volvulus		0.0095	0.1623	0.4931
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0518	0.0481
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.2069	0.2037
Loa Loa (eye worm)	oxidoreductase	0.0095	0.1623	0.159
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.1193	0.692
Schistosoma mansoni	aldo-keto reductase	0.0095	0.1623	0.217
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0055	0.0022
Schistosoma mansoni	bromodomain containing protein	0.0072	0.1153	0.1541
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0055	0.0022
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0085	0.1409	0.8682
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Schistosoma mansoni	hypothetical protein	0.004	0.0476	0.0636
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.511	1
Echinococcus granulosus	aldo keto reductase	0.0095	0.1623	0.2128
Brugia malayi	NADH-dependent xylose reductase	0.0028	0.0226	0.022
Echinococcus granulosus	integrin alpha 3	0.0142	0.2579	0.3414
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0028	0.0226	0.0251
Schistosoma mansoni	ran	0.0022	0.0113	0.0151
Mycobacterium ulcerans	oxidoreductase	0.0095	0.1623	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Loa Loa (eye worm)	hypothetical protein	0.004	0.0476	0.0438
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0113	0.0098
Echinococcus granulosus	geminin	0.0329	0.6448	0.8613
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0379	0.748	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0113	0.0098
Brugia malayi	MH2 domain containing protein	0.0117	0.2069	0.2064
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Brugia malayi	hypothetical protein	0.0379	0.748	0.7478
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.1193	0.1046
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1245	0.121
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.1623	0.1618
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1193	0.1595
Schistosoma mansoni	pol-related	0.0095	0.1623	0.217
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.1193	0.7349
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0069	0.1073	0.1389
Loa Loa (eye worm)	oxidoreductase	0.0095	0.1623	0.159
Giardia lamblia	Aldose reductase	0.0095	0.1623	1
Loa Loa (eye worm)	oxidoreductase	0.0095	0.1623	0.159
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0475	0.9472	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0055	0.0074
Mycobacterium ulcerans	lipase LipD	0.0074	0.1193	0.692
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0345	0.0339
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0264	0.511	0.509
Schistosoma mansoni	rab6-interacting	0.0019	0.0055	0.0074
Onchocerca volvulus		0.0074	0.1193	0.3577
Schistosoma mansoni	hypothetical protein	0.0329	0.6448	0.862
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.511	1
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.1409	0.2594
Onchocerca volvulus		0.0074	0.1193	0.3577
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1193	0.1595
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1193	0.1158
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.1193	0.1046
Trichomonas vaginalis	esterase, putative	0.0074	0.1193	0.2161
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0575	0.0538
Brugia malayi	hypothetical protein	0.0019	0.0055	0.0049
Entamoeba histolytica	hypothetical protein	0.0379	0.748	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0198	0.1222
Schistosoma mansoni	hypothetical protein	0.0321	0.6276	0.839
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0113	0.0694
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.1193	0.692
Entamoeba histolytica	aldose reductase, putative	0.0095	0.1623	0.205
Leishmania major	hypothetical protein, conserved	0.0074	0.1193	0.7349
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Brugia malayi	RNA, U transporter 1	0.0085	0.142	0.1414
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.1193	0.1158
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.1623	0.3022
Echinococcus multilocularis	aldo keto reductase	0.0095	0.1623	0.2128
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.1623	0.3022
Schistosoma mansoni	rab6-interacting	0.0019	0.0055	0.0074
Brugia malayi	Importin beta-1 subunit	0.003	0.0276	0.027
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0198	0.3355
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0085	0.1409	0.1404
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0085	0.1409	0.176
Echinococcus multilocularis	integrin alpha 3	0.0142	0.2579	0.3414
Schistosoma mansoni	hypothetical protein	0.0048	0.0651	0.0871
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0159	0.0093
Echinococcus multilocularis	aldo keto reductase	0.0095	0.1623	0.2128
Loa Loa (eye worm)	hypothetical protein	0.0236	0.4534	0.4513
Brugia malayi	Bromodomain containing protein	0.0085	0.1416	0.1411
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0575	0.0769
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0028	0.0226	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1193	0.1158
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1193	0.2161
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0481	0.05
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0198	0.1222
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0085	0.1409	0.8682
Schistosoma mansoni	polycystin 1-related	0.0019	0.0055	0.0074
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0651	0.0645
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Loa Loa (eye worm)	hypothetical protein	0.005	0.0689	0.0653
Plasmodium falciparum	aldehyde reductase, putative	0.0028	0.0226	0.4003
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0163	0.0166
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0159	0.098
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0774	0.0987
Schistosoma mansoni	hypothetical protein	0.0033	0.0345	0.0461
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1193	0.2161
Entamoeba histolytica	hypothetical protein	0.0379	0.748	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.1193	0.1046
Echinococcus multilocularis	integrin alpha ps	0.0083	0.1366	0.1783
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Onchocerca volvulus	Glucosylceramidase homolog	0.0173	0.3234	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.061	0.0766
Echinococcus granulosus	ubiquitin specific protease 41	0.0085	0.1409	0.1841
Toxoplasma gondii	ABC1 family protein	0.0074	0.1193	0.7151
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.1193	0.155
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.1193	0.1046
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.1623	0.3022
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.1623	0.3022
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0159	0.098
Trypanosoma cruzi	aldo-keto reductase	0.0095	0.1623	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0113	0.1343
Loa Loa (eye worm)	beta-lactamase	0.0074	0.1193	0.1158
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1193	0.1046
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.511	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0575	0.072
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0575	0.072
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.511	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0085	0.1409	0.8584
Brugia malayi	Integrin alpha pat-2 precursor	0.0185	0.3469	0.3465
Schistosoma mansoni	aldo-keto reductase	0.0095	0.1623	0.217
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1193	0.7349
Trypanosoma brucei	aldo-keto reductase, putative	0.0095	0.1623	1
Schistosoma mansoni	integrin alpha-ps	0.0043	0.0546	0.073
Echinococcus multilocularis	RUN	0.0019	0.0055	0.0022
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0085	0.1409	0.2594
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.1623	0.3022
Echinococcus granulosus	snurportin 1	0.0321	0.6276	0.8382
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.1623	0.2128
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.1623	0.2128
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.1623	0.1618
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Echinococcus granulosus	aldo keto reductase	0.0095	0.1623	0.2128
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0085	0.1409	0.1841
Plasmodium falciparum	importin beta, putative	0.003	0.0276	0.5187
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1193	0.1158
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1409	0.1375
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.1193	0.1046
Schistosoma mansoni	hypothetical protein	0.0379	0.748	1
Schistosoma mansoni	hypothetical protein	0.0209	0.3977	0.5317
Echinococcus multilocularis	aldo keto reductase	0.0095	0.1623	0.2128
Echinococcus granulosus	RUN	0.0019	0.0055	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0102	0.176	0.1727
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0198	0.016
Leishmania major	aldo-keto reductase-like protein	0.0095	0.1623	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0159	0.0093
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0209	0.3965	0.5276
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0028	0.0226	0.075
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022
Schistosoma mansoni	potassium channel beta	0.0028	0.0226	0.0302
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0085	0.1409	0.1841
Entamoeba histolytica	aldose reductase, putative	0.0095	0.1623	0.205
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0379	0.748	1
Mycobacterium leprae	Probable lipase LipE	0.0074	0.1193	0.692
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0774	0.0987
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0085	0.1409	0.1841
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1193	0.2161
Echinococcus granulosus	integrin alpha ps	0.004	0.0476	0.0586
Brugia malayi	PHD-finger family protein	0.0031	0.0291	0.0285
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.061	0.0994
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0113	0.0503
Trypanosoma cruzi	aldo/keto reductase, putative	0.0028	0.0226	0.1392
Trypanosoma cruzi	aldo/keto reductase, putative	0.0095	0.1623	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.1193	0.1046
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0055	0.0022
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0276	0.1084
Trichomonas vaginalis	glucosylceramidase, putative	0.0264	0.511	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0151	0.277	0.3703
Echinococcus multilocularis	zinc finger protein	0.0025	0.0171	0.0177
Echinococcus granulosus	zinc finger protein	0.0025	0.0171	0.0177
Echinococcus multilocularis	aldo keto reductase	0.0095	0.1623	0.2128
Echinococcus granulosus	aldo keto reductase	0.0095	0.1623	0.2128
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.3234	0.6247
Schistosoma mansoni	integrin alpha	0.0185	0.3469	0.4638
Loa Loa (eye worm)	oxidoreductase	0.0095	0.1623	0.159
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.1623	0.3022

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 11.8 uM	In vitro inhibition of thrombin-induced platelet aggregation.	ChEMBL.	7837237
IC50 (binding)	= 17.5 uM	Inhibition of [125I]-fibrinogen binding to human Fibrinogen Receptor.	ChEMBL.	7837237
IC50 (binding)	= 17.5 uM	Inhibition of [125I]-fibrinogen binding to human Fibrinogen Receptor.	ChEMBL.	7837237

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 227020