TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 626.618 | Formula: C36H37Cl2N5O
H donors: 2 H acceptors: 2 LogP: 8.35 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: Clc1cccc(c1)n1nc(cc1c1ccccc1Cl)C(=O)NC1CCC(CC1)CN1CCC(CC1)c1c[nH]c2c1cccc2
InChi: 1S/C36H37Cl2N5O/c37-26-6-5-7-28(20-26)43-35(30-9-1-3-10-32(30)38)21-34(41-43)36(44)40-27-14-12-24(13-15-27)23-42-18-16-25(17-19-42)31-22-39-33-11-4-2-8-29(31)33/h1-11,20-22,24-25,27,39H,12-19,23H2,(H,40,44)
InChiKey: ZRLZKVGPSWDMSC-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

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
Schistosoma mansoni	hypothetical protein	0.0141	0.1671	0.1671
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.1899	0.1882
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0127	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1671	0.2995
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0412	0.5102	0.922
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0051	0.0019
Echinococcus multilocularis	GPCR, family 2	0.0141	0.1671	0.1654
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0279	0.0279
Brugia malayi	MH1 domain containing protein	0.0013	0.0053	0.0059
Brugia malayi	Pre-SET motif family protein	0.021	0.2543	0.4576
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0015	0.0075	0.0054
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0127	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0412	0.5102	0.922
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0127	0.0151
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0445	0.5532	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0127	0.0151
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0051	0.0019
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1604	0.1587
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0247	0.3017	0.5437
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0331	0.1
Schistosoma mansoni	vesicular acetylcholine transporter	0.0247	0.3017	0.3017
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0127	0.0106
Echinococcus granulosus	vesicular acetylcholine transporter	0.0247	0.3017	0.3003
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0117	0.0175
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0663	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0053	0.0059
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0159	0.1899	0.1882
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0155	0.1845	0.1845
Echinococcus granulosus	cpg binding protein	0.0059	0.0635	0.0615
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0445	0.5532	1
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0663	0.0644
Echinococcus granulosus	mothers against decapentaplegic 5	0.0024	0.019	0.0169
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0024	0.019	0.0169
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0052	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0846	0.0827
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.0461	0.2926
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0331	0.1
Brugia malayi	Smad1	0.0024	0.019	0.0307
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0331	0.7747
Brugia malayi	MH2 domain containing protein	0.0354	0.4369	0.7889
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0117	0.0252
Echinococcus multilocularis	geminin	0.0172	0.2068	0.2051
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0127	0.0151
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0127	0.0029
Leishmania major	DNA polymerase eta, putative	0.0019	0.0127	0.0151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Loa Loa (eye worm)	MH1 domain-containing protein	0.0024	0.019	0.0307
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0127	0.0106
Loa Loa (eye worm)	histone methyltransferase	0.0018	0.0118	0.0176
Entamoeba histolytica	hypothetical protein	0.0036	0.0337	0.7901
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0051	0.0019
Brugia malayi	MH1 domain containing protein	0.0013	0.0053	0.0059
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0127	0.0151
Schistosoma mansoni	smad1 5 8 and	0.0024	0.019	0.019
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0013	0.0051	0.0019
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0015	0.0075	0.0054
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0846	0.6202
Schistosoma mansoni	smad1 5 8 and	0.0024	0.019	0.019
Echinococcus granulosus	dna polymerase eta	0.0019	0.0127	0.0106
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0013	0.0051	0.01
Schistosoma mansoni	hypothetical protein	0.0798	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0846	0.0827
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.0461	0.0441
Schistosoma mansoni	ap endonuclease	0.0018	0.0117	0.0117
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0117	0.0132
Onchocerca volvulus		0.0092	0.1049	0.3433
Loa Loa (eye worm)	Smad1	0.0024	0.019	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0846	0.1497
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0331	0.1
Echinococcus granulosus	geminin	0.0172	0.2068	0.2051
Leishmania major	C-8 sterol isomerase-like protein	0.0412	0.5102	1
Trypanosoma brucei	unspecified product	0.0013	0.0052	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Plasmodium vivax	SET domain protein, putative	0.0031	0.0279	0.2219
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.0413	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0141	0.1671	0.1654
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.2908	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0127	0.0106
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0117	0.0132
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0127	0.0106
Schistosoma mansoni	hypothetical protein	0.0141	0.1671	0.1671
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0331	0.1822
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0461	0.1452
Brugia malayi	TAR-binding protein	0.0061	0.0663	0.1165
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0331	0.1
Brugia malayi	MH2 domain containing protein	0.0024	0.019	0.0307
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0127	0.0286
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0514	0.0495
Loa Loa (eye worm)	MH2 domain-containing protein	0.0024	0.019	0.0307
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0051	0.0019
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.0461	0.4718
Brugia malayi	RNA binding protein	0.0061	0.0663	0.1165
Entamoeba histolytica	hypothetical protein	0.0036	0.0337	0.7901
Schistosoma mansoni	cpg binding protein	0.0056	0.0594	0.0594
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0279	0.0279
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0331	0.0555
Schistosoma mansoni	Smad4	0.0011	0.0021	0.0021
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0015	0.0075	0.0054
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0018	0.0118	0.0097
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0249	0.0229
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.1604	0.2873
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0279	0.0468
Schistosoma mansoni	smad	0.0011	0.0021	0.0021
Brugia malayi	Latrophilin receptor protein 2	0.0141	0.1671	0.2995
Schistosoma mansoni	hypothetical protein	0.0172	0.2068	0.2068
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0331	0.0563
Echinococcus granulosus	GPCR family 2	0.0141	0.1671	0.1654
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0127	0.0127
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0052	0.0002
Entamoeba histolytica	acetyltransferase, GNAT family	0.0042	0.0413	1
Echinococcus multilocularis	cpg binding protein	0.0059	0.0635	0.0615
Loa Loa (eye worm)	acetyltransferase	0.0155	0.1845	0.331
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0412	0.5102	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0127	0.0151
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0051	0.0019
Echinococcus multilocularis	dnaJ subfamily B	0.0798	1	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0846	0.6202
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0127	0.0029
Loa Loa (eye worm)	MH2 domain-containing protein	0.0354	0.4369	0.7889
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0331	0.1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0412	0.5102	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0127	0.2106
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0331	0.1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0331	0.0311
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.012	0.1405	0.1405
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0051	0.0019
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1604	0.1587
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Echinococcus multilocularis	smad	0.0024	0.019	0.0169
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0663	0.0663
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0279	0.0279
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0663	0.0644
Mycobacterium ulcerans	short chain dehydrogenase	0.0282	0.346	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0846	0.0846
Schistosoma mansoni	ap endonuclease	0.0018	0.0117	0.0117
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0015	0.0075	0.0054
Schistosoma mansoni	hypothetical protein	0.0172	0.2068	0.2068
Schistosoma mansoni	cpg binding protein	0.0059	0.0635	0.0635
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.0461	0.2926
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0127	0.0151
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0331	0.1
Schistosoma mansoni	hypothetical protein	0.0141	0.1671	0.1671
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Entamoeba histolytica	hypothetical protein	0.0036	0.0337	0.7901
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0846	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0279	0.0259
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0141	0.1671	0.2995
Brugia malayi	Pre-SET motif family protein	0.0031	0.0279	0.0468
Brugia malayi	MH2 domain containing protein	0.0024	0.019	0.0307
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0337	0.0317
Schistosoma mansoni	hypothetical protein	0.0036	0.0337	0.0337
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0013	0.0051	0.0054
Onchocerca volvulus		0.0031	0.0279	0.0861
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	0.2179
Schistosoma mansoni	Smad4	0.0011	0.0021	0.0021
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0663	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0051	0.0054
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0141	0.1671	0.2995
Schistosoma mansoni	smad	0.0024	0.019	0.019
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0127	0.0193
Schistosoma mansoni	hypothetical protein	0.0305	0.3745	0.3745
Brugia malayi	latrophilin 2 splice variant baaae	0.0305	0.3745	0.6758
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0331	0.0555
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0663	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0127	0.0193
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0141	0.1671	0.1654
Loa Loa (eye worm)	nuclear factor I	0.0013	0.0053	0.0059
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0215	0.1349
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0331	0.7747
Echinococcus granulosus	lysosomal alpha glucosidase	0.0159	0.1899	0.1882
Brugia malayi	MH1 domain containing protein	0.0024	0.019	0.0307
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0117	0.0252
Brugia malayi	acetyltransferase, GNAT family protein	0.0155	0.1845	0.331
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0331	0.0311
Schistosoma mansoni	alpha-glucosidase	0.0137	0.1618	0.1618
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0247	0.3017	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0663	0.0663
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.1899	0.3408
Loa Loa (eye worm)	transcription factor SMAD2	0.0354	0.4369	0.7889
Entamoeba histolytica	hypothetical protein	0.0036	0.0337	0.7901
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0279	0.0279
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0024	0.019	0.0169
Trypanosoma brucei	glucosidase, putative	0.0035	0.0331	0.0555
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0127	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0305	0.3745	0.6758
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Schistosoma mansoni	smad1 5 8 and	0.0024	0.019	0.019
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0337	0.0317
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0127	0.0332
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0141	0.1671	0.1654
Loa Loa (eye worm)	hypothetical protein	0.021	0.2551	0.4591
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0846	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1604	0.1587
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.1899	0.3408
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0514	0.0495
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0331	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0445	0.5532	1
Onchocerca volvulus		0.0238	0.2908	0.9635
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0117	0.1836
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0279	0.0259
Echinococcus multilocularis	Smad4	0.0024	0.019	0.0169
Brugia malayi	CXXC zinc finger family protein	0.0056	0.0594	0.1041
Brugia malayi	MH1 domain containing protein	0.0024	0.019	0.0307
Brugia malayi	Probable ClpP-like protease	0.0076	0.0846	0.1497
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0663	0.0663
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1604	0.1604
Schistosoma mansoni	cpg binding protein	0.0059	0.0635	0.0635
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0514	0.1188
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0331	0.1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0117	0.0175
Echinococcus granulosus	histone acetyltransferase KAT2B	0.015	0.179	0.1773
Schistosoma mansoni	alpha glucosidase	0.0035	0.0331	0.0331
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.2543	0.4576
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0663	0.0663
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1604	0.1587
Onchocerca volvulus		0.0056	0.0594	0.1915
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0279	0.0259
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0015	0.0075	0.0075
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.005	0.0514	0.4744
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0117	0.0132
Schistosoma mansoni	alpha-glucosidase	0.0137	0.1618	0.1618
Trypanosoma brucei	unspecified product	0.0013	0.0052	0.0002
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0663	0.0663
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0141	0.1671	0.1654
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.0461	0.1452
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0024	0.019	0.0169
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0331	0.0555
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0127	0.0029
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1604	0.1604
Echinococcus granulosus	Smad4	0.0024	0.019	0.0169
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0026	0.0215	0.1349
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0514	0.1188
Mycobacterium tuberculosis	Probable oxidoreductase	0.0282	0.346	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1604	0.1604
Brugia malayi	hypothetical protein	0.0036	0.0337	0.0573
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0127	0.0127
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0279	0.1376
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	0.2179
Echinococcus granulosus	smad	0.0024	0.019	0.0169
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0247	0.3017	0.5437
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0056	0.0594	0.1041
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0155	0.1845	0.1828
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0247	0.3017	0.3003
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0024	0.019	0.019
Schistosoma mansoni	hypothetical protein	0.0141	0.1671	0.1671
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0026	0.0215	0.1349
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0792	0.993	0.993
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0117	0.0132
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0051	0.0019
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.1604	0.2873
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0127	0.0151
Schistosoma mansoni	Smad4	0.0024	0.019	0.019
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0127	0.0193
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.0413	0.4059
Trypanosoma brucei	unspecified product	0.0019	0.0127	0.0151
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0337	0.0337
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0127	0.0127
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0117	0.0097
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0018	0.0118	0.0097
Toxoplasma gondii	hypothetical protein	0.0026	0.0215	0.0836
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0117	0.0097
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0445	0.5532	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0331	0.1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0846	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0115	0.0171
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0663	0.1165
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0127	0.0286
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0052	0.0002
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0111	0.1292	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 1.71 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2.86 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 3.93 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 4 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 24 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 58 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 95 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 8.11	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 4 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 24 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 58 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 95 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.07	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.85063 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL547725
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 591820