TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.443 | Formula: C18H21N3O3S
H donors: 3 H acceptors: 4 LogP: -1.36 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: NCCCC(=O)Nc1ccc(cc1)SC(c1cccnc1)CC(=O)O
InChi: 1S/C18H21N3O3S/c19-9-1-4-17(22)21-14-5-7-15(8-6-14)25-16(11-18(23)24)13-3-2-10-20-12-13/h2-3,5-8,10,12,16H,1,4,9,11,19H2,(H,21,22)(H,23,24)
InChiKey: NFFXNGSHPFAGMJ-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, beta 3 (platelet glycoprotein IIIa, antigen CD61)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959

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	0.0135	0.1559	0.3299
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.0392	0.1135
Echinococcus multilocularis	nAChR subunit	0.0135	0.1559	0.1559
Onchocerca volvulus		0.0135	0.1559	0.5308
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.1303	0.2757
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0073	0.0748	0.1584
Schistosoma mansoni	nAChR subunit	0.0062	0.0612	0.1776
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0402	0.0991
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0135	0.1559	0.3848
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0052	0.0485	0.1405
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0073	0.0748	0.217
Brugia malayi	Bromodomain containing protein	0.0037	0.0283	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0062	0.0612	0.1296
Brugia malayi	hypothetical protein	0.0062	0.0612	0.1296
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0402	0.085
Schistosoma mansoni	hypothetical protein	0.002	0.0061	0.0177
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0135	0.1559	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0948	0.2005
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0135	0.1559	0.3848
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0402	0.1164
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0402	0.085
Echinococcus multilocularis	serotonin transporter	0.0088	0.0948	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0392	0.0829
Brugia malayi	Cation transporter family protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0424	0.0896
Loa Loa (eye worm)	LGC-31 protein	0.0135	0.1559	0.3299
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0135	0.1559	0.3299
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0177	0.0177
Echinococcus multilocularis	nAChR subunit	0.0073	0.0748	0.0748
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0085	0.021
Brugia malayi	hypothetical protein	0.0024	0.0119	0.0251
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.0612	0.1296
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0163	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0429	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0057	0.055	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1702	0.3602
Schistosoma mansoni	hypothetical protein	0.028	0.3448	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0135	0.1559	0.3848
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Schistosoma mansoni	integrin beta subunit	0.0223	0.2701	0.7833
Echinococcus granulosus	nAChR subunit	0.0073	0.0748	0.1847
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0088	0.0948	0.2005
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0085	0.0085
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0135	0.1559	0.3848
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0182	0.2166	0.2166
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0016	0.0016	0.004
Brugia malayi	hypothetical protein	0.0062	0.0612	0.1296
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0135	0.1559	0.4521
Echinococcus multilocularis	glycine receptor subunit beta	0.0135	0.1559	0.1559
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0062	0.0612	0.1296
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0254	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0402	0.1164
Loa Loa (eye worm)	hypothetical protein	0.0033	0.023	0.0487
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0135	0.1559	0.3848
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0135	0.1559	0.3299
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0402	0.1164
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0135	0.1559	0.3299
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0135	0.1559	0.3299
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.2781	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0135	0.1559	0.3848
Brugia malayi	hypothetical protein	0.0016	0.0006	0.0013
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0061	0.0129
Brugia malayi	hypothetical protein	0.0057	0.055	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0691	0.1462
Onchocerca volvulus		0.0073	0.0748	0.2194
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0238	0.2898	0.6132
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0073	0.0748	0.1584
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0062	0.0612	0.1511
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0062	0.0612	0.0612
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0429	0.0907
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0052	0.0485	0.0485
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0135	0.1559	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0948	0.2005
Onchocerca volvulus	Putative nachr subunit	0.0135	0.1559	0.5308
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0177	1
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0135	0.1559	0.1559
Onchocerca volvulus		0.0135	0.1559	0.5308
Onchocerca volvulus		0.0088	0.0948	0.2959
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0135	0.1559	0.4521
Brugia malayi	hypothetical protein	0.0062	0.0612	0.1296
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	MBCTL1	0.0052	0.0485	0.1025
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0135	0.1559	0.1559
Brugia malayi	Integrin beta pat-3 precursor	0.0378	0.4726	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0135	0.1559	0.4521
Brugia malayi	mbt repeat family protein	0.0046	0.0402	0.085
Schistosoma mansoni	acetylcholine receptor-related	0.0062	0.0612	0.1776
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0073	0.0748	0.1584
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0057	0.055	0.1163
Echinococcus granulosus	glycine receptor subunit beta	0.0135	0.1559	0.3848
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0135	0.1559	0.3299
Onchocerca volvulus		0.0135	0.1559	0.5308
Onchocerca volvulus		0.0146	0.1702	0.5857
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0045	0.0392	0.1135
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0402	0.0991
Echinococcus granulosus	histone acetyltransferase MYST2	0.0052	0.0485	0.1196
Brugia malayi	Bromodomain containing protein	0.0072	0.0745	0.1576
Echinococcus granulosus	zinc finger protein	0.0019	0.0048	0.0118
Brugia malayi	PHD-finger family protein	0.0024	0.0115	0.0243
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0402	0.0402
Brugia malayi	Pre-SET motif family protein	0.0201	0.2419	0.5119
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0552	0.1364
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0073	0.0748	0.1584
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0135	0.1559	0.3299
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521
Treponema pallidum	sodium- and chloride- dependent transporter	0.0088	0.0948	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0135	0.1559	0.1559
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0135	0.1559	0.3299
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0119	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0062	0.0612	0.1296
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0402	0.0862
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0085	0.0247
Loa Loa (eye worm)	ACC-1 protein	0.0135	0.1559	0.3299
Brugia malayi	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Plasmodium vivax	SET domain protein, putative	0.0029	0.0177	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0135	0.1559	0.1559
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0135	0.1559	0.3299
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0135	0.1559	0.4521
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Schistosoma mansoni	nAChR subunit	0.0062	0.0612	0.1776
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0135	0.1559	0.4521
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0948	0.2005
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0338	0.0715
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0429	0.0907
Schistosoma mansoni	hypothetical protein	0.0033	0.023	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0135	0.1559	0.3299
Schistosoma mansoni	neurotransmitter gated ion channel	0.0062	0.0612	0.1776
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0254	0.0626
Brugia malayi	hypothetical protein	0.0146	0.1702	0.3602
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0284	0.0601
Loa Loa (eye worm)	integrin beta-2	0.0378	0.4726	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.1303	0.2757
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0177	0.0513
Brugia malayi	Kelch motif family protein	0.0057	0.055	0.1163
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Onchocerca volvulus		0.0229	0.2781	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0135	0.1559	0.3299
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0062	0.0612	0.1511
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Onchocerca volvulus		0.0046	0.0402	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0135	0.1559	0.3848
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0552	0.0552
Echinococcus granulosus	integrin beta 2	0.028	0.3449	0.8514
Echinococcus multilocularis	glycine receptor subunit beta	0.0135	0.1559	0.1559
Brugia malayi	mbt repeat family protein	0.0046	0.0402	0.085
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0062	0.0612	0.1776
Loa Loa (eye worm)	acetylcholine receptor protein	0.0062	0.0612	0.1296
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.2419	0.5119
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0135	0.1559	0.1559
Entamoeba histolytica	hypothetical protein	0.0073	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0119	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0016	0.0016	0.0047
Onchocerca volvulus		0.0135	0.1559	0.5308
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0135	0.1559	0.3299
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0424	0.1228
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0045	0.0392	0.0392
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0135	0.1559	0.3299
Loa Loa (eye worm)	norepinephrine transporter	0.0088	0.0948	0.2005
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Echinococcus granulosus	serotonin transporter	0.0088	0.0948	0.2339
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0088	0.0948	0.2748
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521
Brugia malayi	excitatory GABA receptor EXP-1A	0.0135	0.1559	0.3299
Schistosoma mansoni	zinc finger protein	0.0019	0.0048	0.0139
Onchocerca volvulus		0.0135	0.1559	0.5308
Loa Loa (eye worm)	serotonin transporter b	0.0088	0.0948	0.2005
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0016	0.0016	0.0016
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0062	0.0612	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Onchocerca volvulus		0.0062	0.0612	0.1672
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0088	0.0948	0.2005
Echinococcus multilocularis	tumor protein p63	0.0326	0.4051	0.4051
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Onchocerca volvulus		0.0062	0.0612	0.1672
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0135	0.1559	0.3848
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0135	0.1559	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0119	0.0251
Leishmania major	hypothetical protein, conserved	0.0024	0.0119	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0135	0.1559	0.3299
Echinococcus granulosus	histone lysine methyltransferase setb	0.0045	0.0392	0.0966
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0135	0.1559	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0429	0.0907
Echinococcus granulosus	tumor protein p63	0.0326	0.4051	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0135	0.1559	0.3848
Schistosoma mansoni	sodium/chloride dependent transporter	0.0088	0.0948	0.2748
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0119	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	GABA receptor subunit	0.0073	0.0748	0.1584
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.0612	0.1296
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.0612	0.1296
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0135	0.1559	0.3848
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0119	0.5
Onchocerca volvulus		0.0062	0.0612	0.1672
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0402	0.0402
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0135	0.1559	0.1559
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0177	0.0513
Loa Loa (eye worm)	ACC-1 protein	0.0135	0.1559	0.3299
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Schistosoma mansoni	bromodomain containing protein	0.0061	0.0597	0.1733
Brugia malayi	Pre-SET motif family protein	0.0029	0.0177	0.0375
Brugia malayi	Cation transporter family protein	0.0135	0.1559	0.3299
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0135	0.1559	0.3299
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0073	0.0748	0.217
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521
Echinococcus multilocularis	integrin beta 2	0.028	0.3449	0.3449
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0135	0.1559	0.4521
Echinococcus multilocularis	zinc finger protein	0.0019	0.0048	0.0048
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0062	0.0612	0.0612
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0135	0.1559	0.3848
Onchocerca volvulus		0.0073	0.0748	0.2194
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0052	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0748	0.1584
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0062	0.0612	0.1296
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0135	0.1559	0.3299
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0182	0.2166	0.5346
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0314	0.0664
Schistosoma mansoni	neurotransmitter gated ion channel	0.0073	0.0748	0.217
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1559	0.3299
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0016	0.0016	0.0047
Brugia malayi	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0052	0.0485	0.1025
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0135	0.1559	0.3299
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0024	0.005
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0062	0.0612	0.1296
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0485	0.1025
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0119	0.5
Echinococcus granulosus	nAChR subunit	0.0135	0.1559	0.3848
Brugia malayi	MH2 domain containing protein	0.0115	0.1303	0.2757
Echinococcus granulosus	glycine receptor subunit beta	0.0135	0.1559	0.3848
Onchocerca volvulus		0.0048	0.0424	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0612	0.1296
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.023	0.0487
Onchocerca volvulus		0.0135	0.1559	0.5308
Brugia malayi	Cation transporter family protein	0.0135	0.1559	0.3299
Brugia malayi	photoreceptor-specific nuclear receptor	0.0238	0.2898	0.6132
Schistosoma mansoni	neurotransmitter gated ion channel	0.0062	0.0612	0.1776
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0052	0.0485	0.1196
Schistosoma mansoni	nAChR subunit	0.0135	0.1559	0.4521

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.9 uM	Inhibitory activity against alphaV-beta3 integrin	ChEMBL.	14741263
IC50 (binding)	= 2.9 uM	Inhibitory activity against alphaV-beta3 integrin	ChEMBL.	14741263
IC50 (binding)	= 24 uM	Inhibitory activity against alpha IIb beta3 integrin	ChEMBL.	14741263
IC50 (binding)	= 24 uM	Inhibitory activity against alpha IIb beta3 integrin	ChEMBL.	14741263

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 273326