TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.541 | Formula: C26H30N4O3
H donors: 1 H acceptors: 2 LogP: 3.08 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)Cc1cn(c2c1cc(cc2)C(=N)N)CC(=O)N1CCC(CC1)Cc1ccccc1
InChi: 1S/C26H30N4O3/c1-33-25(32)15-21-16-30(23-8-7-20(26(27)28)14-22(21)23)17-24(31)29-11-9-19(10-12-29)13-18-5-3-2-4-6-18/h2-8,14,16,19H,9-13,15,17H2,1H3,(H3,27,28)
InChiKey: CLLIVUCEMURYEA-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 II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	protease, serine, 1 (trypsin 1)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Trypsin family protein	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Trypsin family protein	protease, serine, 1 (trypsin 1)	247 aa	287 aa	21.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0118	0.0804	0.0829
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0051	0.0175	0.0167
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0051	0.0175	0.0167
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0051	0.0175	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0051	0.0175	0.5
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0051	0.0175	0.5
Onchocerca volvulus		0.0118	0.0804	1
Echinococcus multilocularis	steroid dehydrogenase	0.0051	0.0175	0.0167
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.0141	0.0131
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0049	0.0155	0.0146
Mycobacterium tuberculosis	Probable dehydrogenase	0.0051	0.0175	0.5
Loa Loa (eye worm)	dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	hypothetical protein	0.004	0.007	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Onchocerca volvulus		0.0106	0.0698	0.8653
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Onchocerca volvulus		0.0049	0.0155	0.1764
Entamoeba histolytica	hypothetical protein, conserved	0.0051	0.0175	0.5
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0049	0.0155	0.0146
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0051	0.0175	0.5
Loa Loa (eye worm)	dihydropteridine reductase-PC	0.1045	0.9523	1
Giardia lamblia	Short-chain dehydrogenase, putative	0.0051	0.0175	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0049	0.0155	0.0146
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Echinococcus multilocularis	retinol dehydrogenase 11	0.0051	0.0175	0.0167
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0083	0.007
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0796	0.082
Brugia malayi	glutaminase DH11.1	0.0317	0.2682	0.2804
Onchocerca volvulus		0.0051	0.0175	0.2009
Echinococcus granulosus	carbonyl reductase 1	0.0051	0.0175	0.0167
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0051	0.0175	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0051	0.0175	0.0167
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0051	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Echinococcus granulosus	carbonyl reductase 1	0.0051	0.0175	0.0167
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0051	0.0175	0.0167
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0051	0.0175	0.2009
Echinococcus granulosus	chromobox protein 1	0.0081	0.0459	0.0465
Echinococcus granulosus	steroid dehydrogenase	0.0051	0.0175	0.0167
Onchocerca volvulus		0.0049	0.0155	0.1764
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0051	0.0175	0.0167
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0051	0.0175	0.0651
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0118	0.0804	0.0829
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0049	0.0155	0.0146
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0242	0.0238
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0155	0.0146
Loa Loa (eye worm)	dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Echinococcus multilocularis	carbonyl reductase 1	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0175	0.5
Onchocerca volvulus		0.0051	0.0175	0.2009
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0051	0.0175	0.5
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0051	0.0175	0.5
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0157	0.0585
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0459	0.0465
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0051	0.0175	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0051	0.0175	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0155	0.0146
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0049	0.0155	0.0146
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0049	0.0155	0.0146
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0049	0.0155	0.0146
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0051	0.0175	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0051	0.0175	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0051	0.0175	0.0167
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0051	0.0175	0.5
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0049	0.0155	0.0146
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0051	0.0175	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0124	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0796	0.082
Toxoplasma gondii	oxidoreductase, putative	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0049	0.0155	0.0146
Brugia malayi	Cation transporter family protein	0.0118	0.0804	0.0829
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Onchocerca volvulus	Sepiapterin reductase homolog	0.0051	0.0175	0.2009
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.007	0.0057
Loa Loa (eye worm)	LGC-31 protein	0.0049	0.0155	0.0146
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0051	0.0175	1
Onchocerca volvulus		0.0051	0.0175	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Echinococcus granulosus	retinol dehydrogenase 11	0.0051	0.0175	0.0167
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0157	0.0585
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.074	0.0762
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Onchocerca volvulus		0.0036	0.0032	0.0203
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0049	0.0155	0.0146
Toxoplasma gondii	sterol carrier protein-2 HAD-2SCP-2	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0804	0.0829
Onchocerca volvulus		0.0049	0.0155	0.1764
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Brugia malayi	dehydrogenases, short chain protein 9	0.0051	0.0175	0.0167
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Leishmania major	quinonoid dihydropteridine reductase	0.1096	1	1
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Entamoeba histolytica	hypothetical protein	0.0051	0.0175	0.5
Echinococcus multilocularis	oxidoreductase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0049	0.0155	0.0146
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0051	0.0175	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0051	0.0175	0.0167
Giardia lamblia	Reductase, putative	0.0051	0.0175	1
Onchocerca volvulus		0.0117	0.0796	0.9892
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0117	0.0796	0.082
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Echinococcus multilocularis	glycine receptor subunit beta	0.0049	0.0155	0.0146
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0049	0.0155	0.0146
Onchocerca volvulus		0.0051	0.0175	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0242	0.0238
Schistosoma mansoni	chromobox protein	0.0081	0.0459	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Brugia malayi	hypothetical protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0175	0.5
Echinococcus granulosus	NADP binding domain	0.1045	0.9523	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0083	0.007
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.0355	0.0356
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0051	0.0175	0.2009
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0049	0.0155	0.0146
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0051	0.0175	0.5
Loa Loa (eye worm)	ACC-1 protein	0.0049	0.0155	0.0146
Trypanosoma brucei	oxidoreductase-like protein	0.0051	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0049	0.0155	0.0146
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Schistosoma mansoni	carbonyl reductase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0242	0.0238
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0051	0.0175	0.5
Brugia malayi	jmjC domain containing protein	0.0041	0.0083	0.007
Schistosoma mansoni	chromobox protein	0.0081	0.0459	0.0465
Echinococcus granulosus	glycine receptor subunit beta	0.0049	0.0155	0.0146
Entamoeba histolytica	short chain dehydrogenase family protein	0.0051	0.0175	0.5
Onchocerca volvulus		0.0051	0.0175	0.2009
Onchocerca volvulus		0.0051	0.0175	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0051	0.0175	0.5
Loa Loa (eye worm)	heterochromatin protein 1	0.0081	0.0459	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0242	0.0238
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Onchocerca volvulus		0.0051	0.0175	0.2009
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0175	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Leishmania major	quinonoid dihydropteridine reductase	0.1096	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0049	0.0155	0.0146
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0051	0.0175	0.0167
Mycobacterium ulcerans	glutaminase	0.0317	0.2682	1
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Mycobacterium tuberculosis	Possible oxidoreductase	0.0051	0.0175	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Brugia malayi	dehydrogenases, short chain protein 2	0.0051	0.0175	0.0167
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0155	0.0146
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	glutaminase	0.0317	0.2682	0.2804
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0051	0.0175	0.0651
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0051	0.0175	0.0167
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0051	0.0175	0.5
Trichomonas vaginalis	glutaminase, putative	0.0317	0.2682	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0051	0.0175	0.0167
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0083	0.007
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0051	0.0175	0.0167
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0049	0.0155	0.0146
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0051	0.0175	0.0167
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0459	0.0465
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0051	0.0175	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0051	0.0175	0.5
Echinococcus multilocularis	glycine receptor subunit beta	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0459	0.171
Brugia malayi	dihydropteridine reductase-like	0.1045	0.9523	1
Echinococcus granulosus	hypothetical protein	0.0051	0.0175	0.0167
Loa Loa (eye worm)	ACC-1 protein	0.0049	0.0155	0.0146
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.074	0.0762
Mycobacterium tuberculosis	Possible oxidoreductase	0.0051	0.0175	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0049	0.0155	0.0146
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0051	0.0175	0.0167
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0049	0.0155	0.0146
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Toxoplasma gondii	oxidoreductase, putative	0.0051	0.0175	0.0167
Brugia malayi	Trypsin family protein	0.0117	0.0796	0.082
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0124	0.0464
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.0083	0.007
Schistosoma mansoni	carbonyl reductase	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0175	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Onchocerca volvulus		0.0118	0.0804	1
Brugia malayi	excitatory GABA receptor EXP-1A	0.0049	0.0155	0.0146
Echinococcus multilocularis	NAD(P) binding domain	0.1045	0.9523	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0593	0.0607
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0049	0.0155	0.0146
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0051	0.0175	0.0167
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0049	0.0155	0.0146
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0049	0.0155	0.0146
Brugia malayi	chromobox protein homolog 3	0.0045	0.0124	0.0114
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0175	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Loa Loa (eye worm)	glutaminase 2	0.0317	0.2682	0.2804
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0049	0.0155	0.0146
Echinococcus multilocularis	conserved hypothetical protein	0.0051	0.0175	0.0167
Brugia malayi	Cation transporter family protein	0.0049	0.0155	0.0146
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0049	0.0155	0.0146
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0175	0.5
Brugia malayi	oxidoreductase	0.0051	0.0175	0.0167
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0051	0.0175	0.0167
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0049	0.0155	0.0146
Onchocerca volvulus	Putative nachr subunit	0.0049	0.0155	0.1764
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Brugia malayi	Cation transporter family protein	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0051	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0051	0.0175	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0049	0.0155	0.0146
Leishmania major	quinonoid dihydropteridine reductase	0.1096	1	1
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0051	0.0175	0.5
Onchocerca volvulus		0.0118	0.0804	1
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Onchocerca volvulus		0.0051	0.0175	0.2009
Giardia lamblia	Hypothetical protein	0.0051	0.0175	1
Onchocerca volvulus		0.0051	0.0175	0.2009
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.0083	0.007
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0051	0.0175	0.2009
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Echinococcus granulosus	oxidoreductase	0.0051	0.0175	0.0167
Plasmodium vivax	hypothetical protein, conserved	0.0051	0.0175	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0244	0.0239
Echinococcus granulosus	glycine receptor subunit beta	0.0049	0.0155	0.0146
Onchocerca volvulus		0.0051	0.0175	0.2009
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0049	0.0155	0.0146
Toxoplasma gondii	3-ketoacyl-CoA reductase, putative	0.0051	0.0175	0.0167
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0049	0.0155	0.0146
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0051	0.0175	0.5
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0051	0.0175	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0032	0.0017
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0051	0.0175	0.5
Echinococcus granulosus	nAChR subunit	0.0049	0.0155	0.0146
Leishmania major	quinonoid dihydropteridine reductase	0.1096	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0049	0.0155	0.0146
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0049	0.0155	0.0146
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.1096	1	1
Leishmania major	quinonoid dihydropteridine reductase	0.1096	1	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0049	0.0155	0.0146
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0051	0.0175	0.0167
Brugia malayi	hypothetical protein	0.0051	0.0175	0.0167
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0049	0.0155	0.0146
Echinococcus multilocularis	retinol dehydrogenase 13	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Plasmodium vivax	steroid dehydrogenase, putative	0.0051	0.0175	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0049	0.0155	0.0146
Echinococcus multilocularis	steroid dehydrogenase	0.0051	0.0175	0.0167
Echinococcus granulosus	chromobox protein 1	0.0081	0.0459	0.0465
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0049	0.0155	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0804	0.0829
Echinococcus granulosus	hypothetical protein	0.0051	0.0175	0.0167
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Schistosoma mansoni	dihydropteridine reductase	0.1045	0.9523	1
Brugia malayi	Retinol dehydrogenase 12	0.0051	0.0175	0.0167
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Echinococcus granulosus	WW domain containing oxidoreductase	0.0051	0.0175	0.0167
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0049	0.0155	0.0146
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0051	0.0175	0.0651
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0459	0.171
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0051	0.0175	0.5
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0049	0.0155	0.0146
Brugia malayi	Heterochromatin protein 1	0.0081	0.0459	0.0465
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0051	0.0175	0.5
Toxoplasma gondii	carbonyl reductase 1, putative	0.0051	0.0175	0.0167
Schistosoma mansoni	glutaminase	0.0317	0.2682	0.2804
Brugia malayi	jmjC domain containing protein	0.0111	0.074	0.0762
Brugia malayi	Dehydrogenases, short chain protein 30	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0051	0.0175	0.0167
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0155	0.0146
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0051	0.0175	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Leishmania major	quinonoid dihydropteridine reductase	0.1096	1	1
Echinococcus multilocularis	retinol dehydrogenase 11	0.0051	0.0175	0.0167
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Plasmodium falciparum	steroid dehydrogenase, putative	0.0051	0.0175	1
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	oxidoreductase	0.0051	0.0175	0.0167
Echinococcus granulosus	carbonyl reductase 1	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	retinal dehydrogenase	0.0051	0.0175	0.0167
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0155	0.0146
Schistosoma mansoni	jumonji domain containing protein	0.0088	0.0526	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0124	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0175	0.0167
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0117	0.0796	0.082
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0051	0.0175	0.0167
Onchocerca volvulus		0.0051	0.0175	0.2009
Schistosoma mansoni	short chain dehydrogenase	0.0051	0.0175	0.0167
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0051	0.0175	0.5
Schistosoma mansoni	carbonyl reductase	0.0051	0.0175	0.0167
Loa Loa (eye worm)	hypothetical protein	0.004	0.007	0.0057
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.0141	0.0131
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0049	0.0155	0.0146
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0051	0.0175	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0051	0.0175	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0051	0.0175	0.0167
Entamoeba histolytica	short chain dehydrogenase family protein	0.0051	0.0175	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0051	0.0175	0.0651
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0124	0.1371
Mycobacterium leprae	Probable oxidoreductase	0.0051	0.0175	0.5
Toxoplasma gondii	6,7-dihydropteridine reductase	0.1045	0.9523	1
Echinococcus multilocularis	carbonyl reductase 1	0.0051	0.0175	0.0167
Echinococcus multilocularis	carbonyl reductase 1	0.0051	0.0175	0.0167
Echinococcus granulosus	retinol dehydrogenase 11	0.0051	0.0175	0.0167
Onchocerca volvulus		0.0051	0.0175	0.2009
Schistosoma mansoni	steroid dehydrogenase	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0051	0.0175	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0051	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0155	0.0146
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0157	0.1782
Onchocerca volvulus		0.0051	0.0175	0.2009
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Toxoplasma gondii	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Schistosoma mansoni	nAChR subunit	0.0049	0.0155	0.0146
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0051	0.0175	0.0167
Echinococcus multilocularis	transient receptor potential cation channel	0.0051	0.0175	0.0167
Echinococcus multilocularis	nAChR subunit	0.0049	0.0155	0.0146
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0051	0.0175	0.0651

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 7.4 nM	Inhibition of Coagulation factor II	ChEMBL.	10230612
Ki (binding)	= 7.4 nM	Inhibition of Coagulation factor II	ChEMBL.	10230612
Ki (binding)	= 140 nM	Inhibitory activity of the compound against trypsin	ChEMBL.	10230612
Ki (binding)	= 140 nM	Inhibitory activity of the compound against trypsin	ChEMBL.	10230612
Ki (binding)	= 400 nM	Inhibition of factor Xa	ChEMBL.	10230612

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.

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: CHEMBL422722

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 302884