TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 502.044 | Formula: C31H32ClNO3
H donors: 2 H acceptors: 2 LogP: 6.87 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CC(Cc1ccc(cc1)C(=O)OC(c1ccccc1)c1ccccc1)NCC(c1ccccc1)O.Cl
InChi: 1S/C31H31NO3.ClH/c1-23(32-22-29(33)25-11-5-2-6-12-25)21-24-17-19-28(20-18-24)31(34)35-30(26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-20,23,29-30,32-33H,21-22H2,1H3;1H
InChiKey: GZFFYHCTCWREGG-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
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0247	0.1494
Schistosoma mansoni	blooms syndrome DNA helicase	0.0026	0.0935	0.11
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0021	0.0586	0.2136
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.1596	0.1588
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Trypanosoma brucei	DNA polymerase kappa, putative	0.0029	0.1152	0.3261
Trypanosoma brucei	glucosidase, putative	0.0036	0.1596	0.4531
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0116	0.0304
Brugia malayi	Matrixin family protein	0.0041	0.1953	0.1945
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0428	0.1334
Mycobacterium ulcerans	DNA polymerase IV	0.0059	0.3142	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0428	0.0504
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.1596	0.1588
Echinococcus granulosus	dna polymerase eta	0.0058	0.3069	0.3062
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0028	0.1069	0.106
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0428	0.1194
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0023	0.0765	0.4762
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0247	0.0237
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2232	0.2232
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0247	0.0237
Mycobacterium ulcerans	DNA polymerase IV	0.0059	0.3142	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.003	0.1239	0.3509
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0247	0.0291
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0033	0.1405	0.1654
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0428	0.0418
Brugia malayi	Matrixin family protein	0.0017	0.0338	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0971	0.0971
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.1596	0.5065
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0428	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0247	0.0237
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2232	0.2224
Toxoplasma gondii	peptidylprolyl isomerase	0.0032	0.1362	0.8521
Trypanosoma brucei	proteasome regulatory non-ATPase subunit 11	0.0016	0.025	0.0686
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.001	0.0012
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	1	1
Echinococcus granulosus	expressed protein	0.0033	0.1414	0.1405
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0247	0.0237
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0013	0.0092	0.0235
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0247	0.0677
Echinococcus multilocularis	26S proteasome regulatory subunit N11	0.0021	0.058	0.0571
Trichomonas vaginalis	DNA polymerase eta, putative	0.0059	0.3142	1
Loa Loa (eye worm)	matrixin family protein	0.0041	0.1953	0.1953
Trichomonas vaginalis	rotamase, putative	0.0032	0.1362	0.4316
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.1695	0.1687
Trypanosoma brucei	unspecified product	0.0023	0.0721	0.203
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0247	0.0237
Brugia malayi	ImpB/MucB/SamB family protein	0.0033	0.1405	0.1397
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.1548	0.9695
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.3511	0.3504
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2232	0.2627
Giardia lamblia	Non ATPase subunit MPR1 of 26S proteasome	0.0016	0.025	0.1315
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0092	0.0263
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0247	0.0237
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0013	0.0092	0.0235
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0014	0.0153	0.0899
Trichomonas vaginalis	DNA helicase recq1, putative	0.004	0.1888	0.5995
Leishmania major	DNA polymerase eta, putative	0.0058	0.3069	0.8738
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Schistosoma mansoni	alpha glucosidase	0.0036	0.1596	0.1879
Giardia lamblia	DINP protein human, muc B family	0.0039	0.1836	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.1596	0.5065
Onchocerca volvulus	Matrilysin homolog	0.0038	0.1725	0.305
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0013	0.0092	0.0263
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0428	0.5279
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0038	0.1718	1
Echinococcus granulosus	26S proteasome regulatory subunit N11	0.0021	0.058	0.0571
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0062	0.3339	0.3333
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.1362	0.3861
Brugia malayi	Bloom's syndrome protein homolog	0.004	0.1888	0.1879
Trypanosoma brucei	DNA polymerase kappa, putative	0.0036	0.1621	0.4601
Onchocerca volvulus		0.0093	0.5446	1
Entamoeba histolytica	hypothetical protein	0.0036	0.1585	0.4498
Loa Loa (eye worm)	proteasome 26S subunit	0.0016	0.025	0.025
Trypanosoma brucei	DNA polymerase IV, putative	0.0059	0.3142	0.8946
Brugia malayi	Matrixin family protein	0.0017	0.0338	0.0329
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.3511	0.3504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0021	0.0586	0.0577
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.1596	0.5065
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2232	0.2224
Entamoeba histolytica	26S proteasome non-ATPase regulatory subunit 14, putative	0.0021	0.058	0.1628
Entamoeba histolytica	recQ family DNA helicase	0.0014	0.0153	0.0407
Trichomonas vaginalis	Clan MP, family M67, Poh1-like metallopeptidase	0.0016	0.025	0.0767
Brugia malayi	Matrixin family protein	0.0017	0.0338	0.0329
Schistosoma mansoni	rotamase	0.0033	0.1414	0.1664
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Entamoeba histolytica	hypothetical protein	0.0036	0.1585	0.4498
Trichomonas vaginalis	DNA helicase recq, putative	0.003	0.1239	0.3922
Echinococcus multilocularis	dna polymerase eta	0.0058	0.3069	0.3062
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0028	0.1069	0.6678
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0153	0.0407
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0013	0.0092	0.0082
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0247	0.0237
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.003	0.1239	0.3509
Loa Loa (eye worm)	matrix metalloproteinase	0.0017	0.0338	0.0338
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0013	0.0092	0.0263
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0092	0.0263
Schistosoma mansoni	alpha-glucosidase	0.0139	0.8496	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.3511	0.4132
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0247	0.0677
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0092	0.0263
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.1596	0.1596
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0013	0.0092	0.0235
Trypanosoma brucei	DNA polymerase IV, putative	0.0052	0.2711	0.7716
Trypanosoma brucei	DNA polymerase kappa, putative	0.0029	0.1152	0.3261
Brugia malayi	Hypothetical 35.8 kDa protein F37A4.5 in chromosome III	0.0021	0.058	0.0571
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.1596	0.5065
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.004	0.1904	0.2241
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0092	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1621	0.1621
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0428	0.1139
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1585	0.1865
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0013	0.0092	0.0235
Schistosoma mansoni	DNA helicase recq1	0.0028	0.1069	0.1259
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.1596	0.1588
Echinococcus granulosus	bloom syndrome protein	0.004	0.1888	0.1879
Echinococcus multilocularis	26S proteasome regulatory subunit N11	0.0016	0.025	0.024
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0032	0.1362	0.3861
Brugia malayi	ImpB/MucB/SamB family protein	0.0058	0.3069	0.3062
Trichomonas vaginalis	Clan MP, family M67, Poh1-like metallopeptidase	0.0016	0.025	0.0767
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0247	0.0237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2232	0.2627
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.1596	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0024	0.0802	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.1836	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.0021	0.0586	0.5
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0059	0.3142	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.1836	0.5216
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0428	0.0418
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0428	0.1194
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.3511	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0028	0.1069	0.106
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0038	0.1725	0.305
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.1596	0.5065
Onchocerca volvulus		0.0017	0.0338	0.0459
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.003	0.1239	0.3509
Trypanosoma brucei	proteasome regulatory non-ATPase subunit 11	0.0016	0.025	0.0686
Onchocerca volvulus	Matrilysin homolog	0.0017	0.0338	0.0459
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0032	0.1362	0.3861
Loa Loa (eye worm)	hypothetical protein	0.0012	0.001	0.001
Trypanosoma brucei	DNA polymerase IV, putative	0.0059	0.3142	0.8946
Plasmodium vivax	26S proteasome regulatory subunit RPN11, putative	0.0021	0.058	0.72
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	1	1
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.1596	0.4531
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.1596	0.5065
Echinococcus multilocularis	dna polymerase kappa	0.0059	0.3142	0.3135
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0428	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.3511	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0338	0.0338
Toxoplasma gondii	exonuclease III APE	0.0018	0.0428	0.2635
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1069	0.1069
Brugia malayi	polk-prov protein	0.0036	0.1621	0.1612
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2232	0.2224
Loa Loa (eye worm)	RecQ helicase	0.004	0.1888	0.1888
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.1414	0.4482
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.3511	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.3511	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0092	0.0263
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1585	0.1576
Entamoeba histolytica	hypothetical protein	0.0036	0.1585	0.4498
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0428	0.1334
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	1	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0033	0.1405	0.1397
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0033	0.1405	0.7289
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0586	0.0586
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1585	0.1576
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0428	0.1194
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0153	0.0153
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.1596	0.4531
Giardia lamblia	Sgs1 DNA helicase, putative	0.0028	0.1069	0.58
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0247	0.2993
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0028	0.1069	0.106
Leishmania major	glycosyl hydrolase-like protein	0.0013	0.0092	0.0235
Plasmodium falciparum	26S proteasome regulatory subunit RPN11, putative	0.0021	0.058	0.3337
Trypanosoma cruzi	DNA polymerase eta, putative	0.0058	0.3069	0.8738
Schistosoma mansoni	nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if)	0.0012	0.001	0.0012
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0247	0.0677
Schistosoma mansoni	hypothetical protein	0.0036	0.1585	0.1865
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0247	0.1387
Leishmania major	DNA polymerase eta, putative	0.0035	0.1548	0.4393
Mycobacterium ulcerans	hydrolase	0.0021	0.0586	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0338	0.0338
Schistosoma mansoni	alpha-glucosidase	0.0139	0.8496	1
Toxoplasma gondii	proteasome regulatory subunit	0.0021	0.058	0.3594
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0428	0.2446
Leishmania major	DNA polymerase kappa, putative	0.0039	0.1836	0.5216
Brugia malayi	Matrixin family protein	0.0017	0.0338	0.0329
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.3511	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.3511	0.3511
Schistosoma mansoni	blooms syndrome DNA helicase	0.0014	0.0153	0.018
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0017	0.0315	0.1923
Leishmania major	proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6	0.0016	0.025	0.0686
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0033	0.1405	0.1654
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0428	0.0418
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0028	0.1069	0.6678
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1596	0.4531
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.1548	0.4393
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.1596	0.5065
Trichomonas vaginalis	Clan MP, family M67, Poh1-like metallopeptidase	0.0016	0.025	0.0767
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2232	0.2627
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0028	0.1069	0.6201
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0028	0.1069	0.106
Plasmodium vivax	ATP-dependent DNA helicase Q1, putative	0.0014	0.0116	0.1343
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0153	0.0407
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2232	0.2224
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0033	0.1405	0.1405
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.1836	0.5216
Trypanosoma brucei	unspecified product	0.0023	0.0721	0.203
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0033	0.1405	0.3986
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0033	0.1414	0.1414
Onchocerca volvulus		0.0024	0.0814	0.1348
Trichomonas vaginalis	alpha-glucosidase, putative	0.0013	0.0092	0.0263
Trypanosoma brucei	DNA polymerase kappa, putative	0.0029	0.1152	0.3261
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0428	0.1194
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0032	0.1362	0.3861
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.1695	0.1687
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0062	0.3339	0.3333
Brugia malayi	hypothetical protein	0.0036	0.1585	0.1576
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.1596	0.4531
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0017	0.0338	0.0398
Trypanosoma cruzi	proteasome regulatory non-ATPase subunit 11, putative	0.0016	0.025	0.0686
Brugia malayi	26S proteasome regulatory subunit rpn11	0.0021	0.058	0.0571
Schistosoma mansoni	hypothetical protein	0.0024	0.0814	0.0958
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0247	0.1494
Schistosoma mansoni	DNA polymerase eta	0.0058	0.3069	0.3612
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.1362	0.3861
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.1596	0.5065
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1596	0.4531
Entamoeba histolytica	hypothetical protein	0.0036	0.1585	0.4498
Echinococcus granulosus	26S proteasome regulatory subunit N11	0.0016	0.025	0.024
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0247	0.0677
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0092	0.0092
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0428	0.2288
Entamoeba histolytica	recQ family helicase, putative	0.003	0.1239	0.3509
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2232	0.2224
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0033	0.1405	0.1397
Trypanosoma brucei	DNA polymerase kappa, putative	0.0036	0.1621	0.4601
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0033	0.1414	0.1405
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3069	0.3069
Trypanosoma brucei	DNA polymerase eta, putative	0.0058	0.3069	0.8738
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.1596	0.5065
Schistosoma mansoni	ap endonuclease	0.0018	0.0428	0.0504
Brugia malayi	Hemopexin family protein	0.0024	0.0814	0.0805
Trichomonas vaginalis	DNA helicase recq, putative	0.004	0.1888	0.5995
Trypanosoma brucei	unspecified product	0.0052	0.2711	0.7716
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0028	0.1069	0.106
Echinococcus multilocularis	bloom syndrome protein	0.004	0.1888	0.1879
Trichomonas vaginalis	rotamase, putative	0.0033	0.1414	0.4482
Echinococcus granulosus	dna polymerase kappa	0.0059	0.3142	0.3135
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0028	0.1069	0.1069
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.3511	0.3504
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0428	0.0428
Echinococcus multilocularis	expressed protein	0.0033	0.1414	0.1405
Trypanosoma brucei	DNA polymerase kappa, putative	0.0059	0.3142	0.8946
Loa Loa (eye worm)	26S proteasome regulatory subunit rpn11	0.0021	0.058	0.058
Schistosoma mansoni	DNA helicase recq5	0.0028	0.1069	0.1259
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0247	0.0677
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0428	0.1194
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	1	1
Loa Loa (eye worm)	matrixin family protein	0.0038	0.1725	0.1725
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0028	0.1069	0.106

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= -0.61 %	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)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0.9 %	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)	= 0.98 %	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)	= 83 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 98 %	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)	= 100 %	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)	= 15.54	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -3 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 83 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 98 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.75	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.17784 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.

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: CHEMBL529556
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 591069