TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 502.605 | Formula: C29H34N4O4
H donors: 2 H acceptors: 4 LogP: 3.03 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@@H](N1C[C@H](C)[C@@H](CN(Cc2ccccc2)C)Oc2c(C1=O)cccc2NC(=O)c1ccncc1)C
InChi: 1S/C29H34N4O4/c1-20-16-33(21(2)19-34)29(36)24-10-7-11-25(31-28(35)23-12-14-30-15-13-23)27(24)37-26(20)18-32(3)17-22-8-5-4-6-9-22/h4-15,20-21,26,34H,16-19H2,1-3H3,(H,31,35)/t20-,21-,26+/m0/s1
InChiKey: GQBJBCNAEKUCKM-ISJBWFOZSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	acetylcholinesterase 1	0.115718	0.5	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0252	0.1234	0.1233
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0036	0.0068	0.0067
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.0567	0.0566
Onchocerca volvulus		0.0433	0.2209	1
Echinococcus multilocularis	muscleblind protein	0.0302	0.1504	0.1503
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	0.2529
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0009	0.0008
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.0567	0.0566
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0176	0.0827	0.0826
Entamoeba histolytica	hypothetical protein	0.0027	0.0024	0.0924
Brugia malayi	Latrophilin receptor protein 2	0.0043	0.0107	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0027	0.0024	0.0023
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0042	0.0041
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0147	0.0671
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0096	0.0095
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0042	0.0041
Brugia malayi	SRC-1	0.0041	0.0096	0.0095
Schistosoma mansoni	tyrosine kinase	0.0041	0.0096	0.0095
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0042	0.0041
Mycobacterium ulcerans	beta-lactamase	0.0067	0.024	0.1941
Schistosoma mansoni	hypothetical protein	0.0092	0.0373	0.0372
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.0042	0.0041
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0594	0.308	0.3079
Schistosoma mansoni	nck2/grb4	0.0036	0.0068	0.0067
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0042	0.0041
Brugia malayi	RNA binding protein	0.0128	0.0567	0.0566
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0088	0.0087
Echinococcus granulosus	c-Jun N-terminal kinases	0.1878	1	1
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0042	0.0041
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0071	0.0262	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0252	0.1234	0.5623
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0071	0.026	0.2105
Trichomonas vaginalis	D-aminoacylase, putative	0.0067	0.024	0.1325
Leishmania major	hypothetical protein, conserved	0.0067	0.024	0.9151
Brugia malayi	AMP-binding enzyme family protein	0.0071	0.026	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1504	0.1503
Brugia malayi	ecdysteroid receptor	0.0031	0.0042	0.0041
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0041	0.0096	0.0095
Brugia malayi	Carboxylesterase family protein	0.0252	0.1234	0.1233
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0071	0.0262	0.0261
Trichomonas vaginalis	penicillin-binding protein, putative	0.0067	0.024	0.1325
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0113	0.0484	0.0483
Loa Loa (eye worm)	hypothetical protein	0.1491	0.791	0.791
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0067	0.024	0.1941
Leishmania major	4-coumarate:coa ligase-like protein	0.0071	0.026	0.9924
Schistosoma mansoni	tyrosine kinase	0.0974	0.5127	0.5127
Brugia malayi	Variant SH3 domain containing protein	0.0028	0.0027	0.0026
Mycobacterium ulcerans	ion transport protein	0.0072	0.0266	0.2154
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.0042	0.0041
Brugia malayi	hypothetical protein	0.0252	0.1234	0.1233
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0031	0.0042	0.0187
Brugia malayi	Variant SH3 domain containing protein	0.0036	0.0068	0.0067
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0042	0.0041
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0067	0.024	0.0239
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.0567	0.0566
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0043	0.0107	0.0106
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0315	0.0314
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0042	0.0041
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0071	0.026	0.1184
Schistosoma mansoni	microtubule-associated protein tau	0.1351	0.7157	0.7157
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0176	0.0827	0.0826
Brugia malayi	latrophilin 2 splice variant baaae	0.0092	0.0373	0.0372
Onchocerca volvulus		0.0252	0.1234	0.5585
Loa Loa (eye worm)	hypothetical protein	0.115718	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0043	0.0107	0.0106
Schistosoma mansoni	hypothetical protein	0.0043	0.0107	0.0106
Brugia malayi	Carboxylesterase family protein	0.115718	0.5	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0567	0.0566
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0252	0.1234	0.1233
Mycobacterium ulcerans	hypothetical protein	0.0071	0.026	0.2105
Brugia malayi	hypothetical protein	0.0433	0.2209	0.2208
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0484	0.0483
Brugia malayi	Muscleblind-like protein	0.0302	0.1504	0.1503
Loa Loa (eye worm)	carboxylesterase	0.0252	0.1234	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.0239
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0031	0.0042	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0042	0.0041
Plasmodium vivax	hypothetical protein, conserved	0.0067	0.024	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0009	0.0549
Brugia malayi	beta-lactamase family protein	0.0067	0.024	0.0239
Echinococcus granulosus	geminin	0.0334	0.1676	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0163	0.0162
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0071	0.026	0.1184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.087	0.087
Mycobacterium tuberculosis	Conserved protein	0.0067	0.024	0.1092
Brugia malayi	beta-lactamase family protein	0.0067	0.024	0.0239
Brugia malayi	MH2 domain containing protein	0.0144	0.0654	0.0653
Onchocerca volvulus		0.0102	0.0426	0.1927
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0042	0.0041
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0654	0.0653
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0066	0.0065
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0066	0.0065
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	0.2529
Onchocerca volvulus		0.0067	0.024	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Schistosoma mansoni	alpha glucosidase	0.0039	0.0088	0.0087
Schistosoma mansoni	lozenge	0.0054	0.0169	0.0168
Schistosoma mansoni	hypothetical protein	0.0334	0.1676	0.1676
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0041	0.0096	0.0095
Brugia malayi	AMP-binding enzyme family protein	0.0071	0.026	0.0259
Loa Loa (eye worm)	carboxylesterase	0.1491	0.791	0.791
Leishmania major	4-coumarate:coa ligase-like protein	0.0071	0.026	0.9924
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0135	0.0603	0.0602
Trypanosoma brucei	hypothetical protein, conserved	0.0067	0.024	0.9151
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0027	0.0024	0.0023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.087	0.087
Mycobacterium ulcerans	acyl-CoA synthetase	0.0071	0.026	0.2105
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.115718	0.5	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.0096	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Trichomonas vaginalis	penicillin-binding protein, putative	0.0067	0.024	0.1325
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0044	0.0116	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0071	0.026	0.0259
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0036	0.0068	0.0067
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0071	0.026	0.2105
Echinococcus multilocularis	c src tyrosine kinase	0.0041	0.0096	0.0095
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0009	0.0374
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0042	0.0041
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.0042	0.0041
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0053	0.0163	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0654	0.0653
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.0042	0.0041
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.0042	0.0041
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0135	0.0603	0.0602
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0071	0.0262	0.0261
Echinococcus granulosus	BC026374 protein S09 family	0.0252	0.1234	0.1233
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0071	0.026	0.9924
Echinococcus granulosus	NCK adaptor protein	0.0036	0.0068	0.0067
Schistosoma mansoni	tyrosine kinase	0.0041	0.0096	0.0095
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.0042	0.0041
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	0.2529
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0042	0.0041
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.0042	0.0041
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0053	0.0163	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Echinococcus multilocularis	acetylcholinesterase	0.1491	0.791	0.791
Brugia malayi	Variant SH3 domain containing protein	0.0036	0.0068	0.0067
Trypanosoma cruzi	hypothetical protein, conserved	0.0067	0.024	0.9121
Mycobacterium tuberculosis	Conserved protein	0.0067	0.024	0.1092
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0043	0.0107	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0042	0.0041
Brugia malayi	beta-lactamase	0.0067	0.024	0.0239
Brugia malayi	Carboxylesterase family protein	0.0252	0.1234	0.1233
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0067	0.024	0.0239
Loa Loa (eye worm)	hypothetical protein	0.1491	0.791	0.791
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0042	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0603	0.0602
Onchocerca volvulus		0.0071	0.026	0.1172
Loa Loa (eye worm)	beta-lactamase	0.0067	0.024	0.0239
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0567	0.0566
Echinococcus multilocularis	acetylcholinesterase	0.1491	0.791	0.791
Mycobacterium ulcerans	hypothetical protein	0.0067	0.024	0.1941
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0042	0.0041
Loa Loa (eye worm)	carboxylesterase	0.115718	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Leishmania major	4-coumarate:coa ligase-like protein	0.0071	0.026	0.9924
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0067	0.024	0.0239
Mycobacterium leprae	conserved hypothetical protein	0.0067	0.024	0.9221
Mycobacterium leprae	Probable lipase LipE	0.0067	0.024	0.9221
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0315	0.0314
Onchocerca volvulus		0.0067	0.024	0.1081
Mycobacterium tuberculosis	Probable lipase LipD	0.0067	0.024	0.1092
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0099	0.0412	0.0411
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0067	0.024	0.1092
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.087	0.087
Onchocerca volvulus		0.0031	0.0042	0.0187
Trichomonas vaginalis	spcc417.12 protein, putative	0.0252	0.1234	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0176	0.0827	0.0826
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.1878	1	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0071	0.0262	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0041	0.0096	0.0095
Echinococcus multilocularis	acetylcholinesterase	0.115718	0.5	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0042	0.0041
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.0567	0.0566
Mycobacterium ulcerans	lipase LipD	0.0067	0.024	0.1941
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.087	0.087
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.1878	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0567	0.0566
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.087	0.087
Loa Loa (eye worm)	hypothetical protein	0.0071	0.026	0.0259
Brugia malayi	nuclear hormone receptor	0.0031	0.0042	0.0041
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0088	0.3347
Schistosoma mansoni	BC026374 protein (S09 family)	0.0252	0.1234	0.1233
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.0042	0.0041
Schistosoma mansoni	alpha-glucosidase	0.0152	0.0695	0.0694
Schistosoma mansoni	thyroid hormone receptor	0.0031	0.0042	0.0041
Echinococcus multilocularis	GPCR, family 2	0.0043	0.0107	0.0106
Echinococcus granulosus	acetylcholinesterase	0.1491	0.791	0.791
Echinococcus granulosus	carboxylesterase 5A	0.1491	0.791	0.791
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0042	0.0041
Loa Loa (eye worm)	carboxylesterase	0.0252	0.1234	0.1233
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.0042	0.0041
Schistosoma mansoni	acetylcholinesterase	0.0252	0.1234	0.1233
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0113	0.0484	0.0483
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0027	0.0024	0.0023
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0043	0.0107	0.0106
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0184	0.087	0.087
Schistosoma mansoni	tyrosine kinase	0.0041	0.0096	0.0095
Trichomonas vaginalis	esterase, putative	0.0067	0.024	0.1325
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.087	0.087
Entamoeba histolytica	acyl-coA synthetase, putative	0.0071	0.026	0.9924
Schistosoma mansoni	vav2	0.0028	0.0027	0.0026
Brugia malayi	Carboxylesterase family protein	0.0252	0.1234	0.1233
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0042	0.0041
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0042	0.0041
Echinococcus granulosus	beta LACTamase domain containing family member	0.0067	0.024	0.0239
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0099	0.0412	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0041	0.0096	0.0095
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0252	0.1234	1
Onchocerca volvulus		0.0252	0.1234	0.5585
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0071	0.026	0.2105
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0041	0.0096	0.0095
Echinococcus granulosus	acetylcholinesterase	0.115718	0.5	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1491	0.791	0.791
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.0042	0.0041
Echinococcus multilocularis	muscleblind protein 1	0.0302	0.1504	0.1503
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0135	0.0603	0.0602
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0042	0.0041
Schistosoma mansoni	hypothetical protein	0.0043	0.0107	0.0106
Onchocerca volvulus		0.0081	0.0315	0.1422
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0036	0.0068	0.0067
Onchocerca volvulus		0.0067	0.024	0.1081
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0096	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0068	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.0239
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0042	0.0041
Echinococcus multilocularis	neuroligin	0.0252	0.1234	0.1233
Echinococcus multilocularis	acetylcholinesterase	0.115718	0.5	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0071	0.026	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0252	0.1234	0.5623
Brugia malayi	hypothetical protein	0.0025	0.0009	0.0008
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0042	0.0041
Echinococcus granulosus	carboxylesterase 5A	0.115718	0.5	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0252	0.1234	0.5623
Echinococcus multilocularis	carboxylesterase 5A	0.1491	0.791	0.791
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0042	0.0041
Brugia malayi	hypothetical protein	0.0035	0.0066	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.0239
Mycobacterium ulcerans	acyl-CoA synthetase	0.0071	0.026	0.2105
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0042	0.0041
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0088	0.3658
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0163	0.0162
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.0096	0.0095
Schistosoma mansoni	hypothetical protein	0.0334	0.1676	0.1676
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0042	0.0041
Brugia malayi	AMP-binding enzyme family protein	0.0071	0.026	0.0259
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0028	0.0027	0.0026
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0184	0.087	0.087
Brugia malayi	Tyrosine-protein kinase abl-1	0.0041	0.0096	0.0095
Echinococcus granulosus	neuroligin	0.0252	0.1234	0.1233
Toxoplasma gondii	ABC1 family protein	0.0067	0.024	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0009	0.0342
Echinococcus granulosus	acetylcholinesterase	0.1491	0.791	0.791
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0992	0.5222	0.5222
Plasmodium vivax	acyl-CoA synthetase, putative	0.0053	0.0163	0.6803
Schistosoma mansoni	hypothetical protein	0.0035	0.0066	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0071	0.026	0.0259
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0252	0.1234	0.1233
Echinococcus granulosus	c src tyrosine kinase	0.0041	0.0096	0.0095
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0147	0.0671
Trypanosoma brucei	glucosidase, putative	0.0039	0.0088	0.3347
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0096	0.0095
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0071	0.026	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.0042	0.0041
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0252	0.1234	0.1233
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0176	0.0827	0.0826
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0252	0.1234	0.1233
Entamoeba histolytica	hypothetical protein	0.0035	0.0066	0.2529
Echinococcus granulosus	acetylcholinesterase	0.115718	0.5	0.5
Brugia malayi	steroid hormone receptor	0.0031	0.0042	0.0041
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0067	0.024	0.1092
Loa Loa (eye worm)	acetylcholinesterase 1	0.1491	0.791	0.791
Brugia malayi	Carboxylesterase family protein	0.0252	0.1234	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0163	0.0162
Loa Loa (eye worm)	SRC-1	0.0041	0.0096	0.0095
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0041	0.0096	0.0095
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0023	0.0001	0.0037
Schistosoma mansoni	hypothetical protein	0.0043	0.0107	0.0106
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0147	0.0671
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0042	0.0041
Mycobacterium ulcerans	acyl-CoA synthetase	0.0071	0.026	0.2105
Brugia malayi	Carboxylesterase family protein	0.1491	0.791	0.791
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0107	0.0106
Mycobacterium tuberculosis	Probable hydrolase	0.0067	0.024	0.1092
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0315	0.0314
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.0042	0.0041
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0043	0.0107	0.0106
Brugia malayi	TAR-binding protein	0.0128	0.0567	0.0566
Schistosoma mansoni	growth factor receptor-bound protein	0.0036	0.0068	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0433	0.2209	0.2208
Mycobacterium tuberculosis	Conserved protein	0.0067	0.024	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0373	0.0372
Echinococcus multilocularis	geminin	0.0334	0.1676	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0027	0.0026
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0041	0.0096	0.0095
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.0042	0.0187
Echinococcus granulosus	muscleblind protein	0.0302	0.1504	0.1503
Brugia malayi	Carboxylesterase family protein	0.1491	0.791	0.791
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0567	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Loa Loa (eye worm)	RNA binding protein	0.0128	0.0567	0.0566
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0067	0.024	0.0239
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.0042	0.0041
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0042	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0163	0.0162
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0088	0.0087
Loa Loa (eye worm)	runx1	0.0054	0.0169	0.0168
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0043	0.0107	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0042	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0041	0.0096	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0042	0.0041
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0071	0.026	0.9924
Echinococcus multilocularis	NCK adaptor protein	0.0036	0.0068	0.0067
Echinococcus multilocularis	Protein lozenge	0.0054	0.0169	0.0168
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.0042	0.0041
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0088	0.3347
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0252	0.1234	0.1233
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0088	0.0087
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0992	0.5222	0.5222
Onchocerca volvulus		0.0252	0.1234	0.5585
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0071	0.0262	1
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0099	0.0412	0.0411
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0042	0.0041
Onchocerca volvulus		0.0252	0.1234	0.5585
Echinococcus multilocularis	transcription factor Dp 1	0.0041	0.01	0.0099
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.0042	0.0041
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0009	0.0342
Echinococcus multilocularis	para nitrobenzyl esterase	0.0252	0.1234	0.1233
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0071	0.0262	1
Echinococcus granulosus	microtubule associated protein 2	0.1351	0.7157	0.7157
Onchocerca volvulus		0.0252	0.1234	0.5585
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0099	0.0412	0.0411
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0042	0.0041
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.0042	0.0041
Echinococcus granulosus	transcription factor Dp 1	0.0041	0.01	0.0099
Trichomonas vaginalis	D-aminoacylase, putative	0.0067	0.024	0.1325
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0066	0.0065
Echinococcus granulosus	GPCR family 2	0.0043	0.0107	0.0106
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0041	0.0096	0.0095
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0088	0.3112
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.0042	0.0041
Echinococcus multilocularis	carboxylesterase 5A	0.115718	0.5	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0252	0.1234	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.0042	0.0187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.087	0.087
Loa Loa (eye worm)	hypothetical protein	0.0302	0.1504	0.1503
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Schistosoma mansoni	alpha-glucosidase	0.0152	0.0695	0.0694
Schistosoma mansoni	adapter molecule crk	0.0036	0.0068	0.0067
Trichomonas vaginalis	D-aminoacylase, putative	0.0067	0.024	0.1325
Mycobacterium ulcerans	esterase/lipase LipP	0.0067	0.024	0.1941
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0071	0.0262	0.0261
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.043	0.2195	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0041	0.0096	0.0095
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.0042	0.0041
Brugia malayi	Carboxylesterase family protein	0.115718	0.5	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.0042	0.0041
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0067	0.024	0.0239
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0071	0.0262	0.0261
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0252	0.1234	0.1233
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.0042	0.0041
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0067	0.024	0.1092
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0036	0.0068	0.0067
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Echinococcus granulosus	lysosomal alpha glucosidase	0.0176	0.0827	0.0826
Schistosoma mansoni	growth factor receptor-bound protein	0.0036	0.0068	0.0067
Loa Loa (eye worm)	hypothetical protein	0.115718	0.5	0.5
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0071	0.0262	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0163	0.0162
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0071	0.0262	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0147	0.0671
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.0239
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0009	0.0374
Schistosoma mansoni	gliotactin	0.0252	0.1234	0.1233
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0041	0.0096	0.0095
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0315	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0088	0.3112
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.0042	0.0041
Loa Loa (eye worm)	voltage-gated potassium channel	0.0096	0.0395	0.0394
Trypanosoma cruzi	hypothetical protein, conserved	0.0067	0.024	0.9121
Brugia malayi	Sex muscle abnormal protein 5	0.0036	0.0068	0.0067
Echinococcus granulosus	para nitrobenzyl esterase	0.0252	0.1234	0.1233
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0042	0.0041
Plasmodium falciparum	acyl-CoA synthetase	0.0053	0.0163	1
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0567	0.0566
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0043	0.0107	0.0106
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0088	0.0087
Schistosoma mansoni	serine/threonine protein kinase	0.1878	1	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0041	0.0096	0.0095
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0315	0.0314
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0088	0.3347
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0053	0.0163	0.1321
Mycobacterium tuberculosis	Probable esterase LipL	0.0067	0.024	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.0239
Echinococcus granulosus	growth factor receptor bound protein 2	0.0036	0.0068	0.0067
Echinococcus granulosus	tar DNA binding protein	0.0128	0.0567	0.0566
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0009	0.0549
Schistosoma mansoni	coup transcription factor	0.0031	0.0042	0.0041
Echinococcus multilocularis	microtubule associated protein 2	0.1351	0.7157	0.7157
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.0042	0.0041
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.0096	0.0095
Schistosoma mansoni	tyrosine kinase	0.0041	0.0096	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0433	0.2209	0.2208
Loa Loa (eye worm)	hypothetical protein	0.0252	0.1234	0.1233
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0071	0.026	0.2105
Loa Loa (eye worm)	hypothetical protein	0.0067	0.024	0.0239
Mycobacterium tuberculosis	Probable lipase LipE	0.0067	0.024	0.1092
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0042	0.0041

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 12 nM	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen infected in mouse NIH/3T3 cells assessed as multimode parasite growth inhibition after 4 days by beta-galactosidase reporter gene assay	ChEMBL.	24900788

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23	24900788

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: CHEMBL2143936

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1702611