TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 534.603 | Formula: C27H22N2O6S2
H donors: 3 H acceptors: 6 LogP: 5.59 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CCCc1c(OCc2ccc(cc2)/C=C/2\SC(=S)NC2=O)ccc(c1O)C(=O)c1cncc(c1)C(=O)O
InChi: 1S/C27H22N2O6S2/c1-2-3-19-21(9-8-20(24(19)31)23(30)17-11-18(26(33)34)13-28-12-17)35-14-16-6-4-15(5-7-16)10-22-25(32)29-27(36)37-22/h4-13,31H,2-3,14H2,1H3,(H,33,34)(H,29,32,36)/b22-10-
InChiKey: JJEPDJKILWFOEL-YVNNLAQVSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cathepsin D	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin X	cathepsin D	412 aa	339 aa	28.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	RNA directed DNA polymerase	0.0078	0.0758	0.0758
Schistosoma mansoni	hypothetical protein	0.0071	0.0675	0.205
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0324	0.1033
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0017	0.0053	0.0053
Echinococcus multilocularis	conserved hypothetical protein	0.0297	0.3272	0.3272
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.2247	1
Echinococcus multilocularis	serine threonine protein kinase	0.0098	0.0982	0.0982
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0192	0.0614
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0084	0.0084
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.0954	0.0954
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.1106	1
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.02	0.0608
Brugia malayi	jmjC domain containing protein	0.0035	0.0263	0.117
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0481	0.2141
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0017	0.0053	0.0169
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0492	0.0492
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1106	0.418
Brugia malayi	Animal haem peroxidase family protein	0.0082	0.0796	0.3541
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0492	0.1569
Echinococcus multilocularis	6 phosphofructokinase	0.0108	0.1106	0.1106
Onchocerca volvulus	Alhambra homolog	0.0029	0.0192	0.0681
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0192	0.336
Loa Loa (eye worm)	matrixin family protein	0.0189	0.2035	0.9058
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0405	0.1804
Brugia malayi	aspartic protease BmAsp-1, identical	0.0014	0.0018	0.0081
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0195	0.3407
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0084	0.0268
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0053	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Echinococcus granulosus	NDR protein kinase	0.0017	0.0053	0.0169
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0035	0.0331
Brugia malayi	Animal haem peroxidase family protein	0.0082	0.0796	0.3541
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.0516	0.1567
Leishmania major	hypothetical protein, conserved	0.0025	0.0141	0.0988
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.002	0.0084	0.0374
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.1106	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0035	0.0035
Onchocerca volvulus		0.0078	0.0758	0.2892
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Onchocerca volvulus		0.0111	0.1135	0.4363
Brugia malayi	protein kinase C II.	0.0031	0.022	0.0978
Brugia malayi	hypothetical protein	0.0025	0.0141	0.0628
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.0053	0.0053
Schistosoma mansoni	lipoxygenase	0.002	0.0084	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0141	0.2371
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0405	0.123
Brugia malayi	Matrixin family protein	0.0078	0.0758	0.3375
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0035	0.0157
Echinococcus multilocularis	RUN	0.002	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0758	0.3375
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0549	0.2442
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0061	0.0561	0.2496
Echinococcus granulosus	RNA directed DNA polymerase	0.0078	0.0758	0.2421
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0195	0.0578
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0029	0.0195	0.3407
Onchocerca volvulus	Peroxidasin homolog	0.0082	0.0796	0.3038
Brugia malayi	Peroxidasin	0.0082	0.0796	0.3541
Schistosoma mansoni	glucose-6-phosphatase	0.0299	0.3294	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0263	0.0798
Onchocerca volvulus	Matrilysin homolog	0.0078	0.0758	0.2892
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0141	0.0628
Echinococcus granulosus	geminin	0.0166	0.1763	0.5629
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0053	0.0161
Brugia malayi	Matrixin family protein	0.0078	0.0758	0.3375
Brugia malayi	6-phosphofructokinase	0.0108	0.1106	0.492
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0035	0.0035
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0481	0.1536
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0035	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0192	0.0856
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0188	0.2016	0.6435
Schistosoma mansoni	memapsin-2 (A01 family)	0.0014	0.0018	0.0055
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.02	0.0608
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0017	0.0053	0.0236
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0017	0.0053	0.0236
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.0516	0.4494
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.1106	0.492
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.1106	0.3356
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0537	0.1713
Loa Loa (eye worm)	animal heme peroxidase	0.0082	0.0796	0.3541
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0195	0.0578
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.1106	1
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0192	0.0856
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0516	0.1648
Brugia malayi	Pepsin A precursor	0.0014	0.0018	0.0081
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0372	0.0372
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0174	0.1855	0.7179
Onchocerca volvulus		0.0048	0.0405	0.1513
Schistosoma mansoni	hypothetical protein	0.0166	0.1763	0.5351
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0018	0.0081
Schistosoma mansoni	lipoxygenase	0.0055	0.0492	0.1492
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0084	0.127
Toxoplasma gondii	6-phosphofructokinase	0.0029	0.0195	0.3407
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0053	0.0161
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0188	0.2016	0.2016
Loa Loa (eye worm)	hypothetical protein	0.005	0.0432	0.1921
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0372	0.1656
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0084	0.0084
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0372	0.1129
Echinococcus multilocularis	conserved hypothetical protein	0.0297	0.3272	0.3272
Brugia malayi	mbt repeat family protein	0.0048	0.0405	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	phosphofructokinase	0.0108	0.1106	0.492
Brugia malayi	p70 ribosomal S6 kinase beta	0.0017	0.0053	0.0236
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0516	0.0516
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.02	0.0608
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0035	0.0331
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0405	0.123
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0516	0.2298
Brugia malayi	hypothetical protein	0.002	0.0084	0.0374
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0014	0.0024	0.0078
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0405	0.123
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.02	0.02
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Brugia malayi	Hr1 repeat family protein	0.0017	0.0053	0.0236
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0537	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0472	0.21
Schistosoma mansoni	peroxidasin	0.0082	0.0796	0.2415
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2577	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0195	0.0578
Entamoeba histolytica	hypothetical protein	0.0071	0.0675	0.5912
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0372	0.1129
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0537	1
Plasmodium falciparum	plasmepsin IV	0.0059	0.0537	1
Onchocerca volvulus		0.002	0.0084	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0758	0.3375
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.1106	1
Plasmodium falciparum	plasmepsin II	0.0059	0.0537	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0017	0.0053	0.0236
Brugia malayi	Matrixin family protein	0.0189	0.2035	0.9058
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.12	0.5341
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.1106	1
Brugia malayi	hypothetical protein	0.0082	0.0796	0.3541
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Brugia malayi	Animal haem peroxidase family protein	0.0082	0.0796	0.3541
Brugia malayi	jmjC domain containing protein	0.0095	0.0954	0.4245
Loa Loa (eye worm)	animal heme peroxidase	0.0082	0.0796	0.3541
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0195	0.0578
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.02	0.0608
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0057	0.0516	0.4494
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0481	0.0481
Brugia malayi	phosphofructokinase	0.0108	0.1106	0.492
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0035	0.0157
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0108	0.1106	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0481	0.0481
Loa Loa (eye worm)	matrixin family protein	0.0174	0.1855	0.8257
Schistosoma mansoni	atypical protein kinase C	0.0029	0.0191	0.058
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0537	0.1929
Schistosoma mansoni	protein kinase C	0.0014	0.0024	0.0074
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0481	0.146
Schistosoma mansoni	unc-13 (munc13)	0.0014	0.0024	0.0074
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0192	0.0584
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0031	0.022	0.0978
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0192	0.336
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0035	0.0035
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0405	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	hypothetical protein	0.003	0.02	0.0892
Echinococcus granulosus	6 phosphofructokinase	0.0108	0.1106	0.353
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0084	0.0268
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0372	0.1129
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Schistosoma mansoni	serine/threonine protein kinase	0.011	0.112	0.3401
Loa Loa (eye worm)	MBCTL1	0.0054	0.0481	0.2141
Brugia malayi	Matrixin family protein	0.0078	0.0758	0.3375
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Brugia malayi	mbt repeat family protein	0.0048	0.0405	0.1804
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0061	0.0561	0.2026
Loa Loa (eye worm)	hypothetical protein	0.002	0.0084	0.0374
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0084	0.0268
Onchocerca volvulus		0.003	0.02	0.0712
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1106	0.418
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0141	0.0988
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0053	0.0236
Loa Loa (eye worm)	aspartyl protease 6	0.0014	0.0018	0.0081
Brugia malayi	hypothetical protein	0.0014	0.0018	0.0081
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0285	0.3132	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.1859	0.5644
Schistosoma mansoni	unc-13 (munc13)	0.0016	0.0046	0.014
Brugia malayi	Animal haem peroxidase family protein	0.0082	0.0796	0.3541
Echinococcus granulosus	protein kinase C gamma type	0.0098	0.0982	0.3136
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0481	0.2141
Echinococcus multilocularis	peregrin	0.0029	0.0192	0.0192
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.12	0.5341
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0192	0.336
Echinococcus multilocularis	unc 13 (munc13)	0.0014	0.0024	0.0024
Schistosoma mansoni	serine/threonine kinase	0.0017	0.0053	0.0161
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.1106	0.492
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0192	0.0192
Schistosoma mansoni	hypothetical protein	0.0103	0.1046	0.3175
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0035	0.0331
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.02	0.3515
Echinococcus multilocularis	protein kinase c iota type	0.0029	0.0191	0.0191
Schistosoma mansoni	hypothetical protein	0.0289	0.3187	0.9673
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.1859	0.5644
Mycobacterium ulcerans	6-phosphofructokinase	0.0108	0.1106	1
Brugia malayi	PHD-finger family protein	0.0029	0.0192	0.0856
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0095	0.0955	0.4249
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0108	0.1106	1
Brugia malayi	hypothetical protein	0.0014	0.0018	0.0081
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0017	0.0053	0.0169
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0029	0.0195	1
Trypanosoma brucei	RNA helicase, putative	0.0103	0.1046	0.9444
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0192	0.336
Echinococcus multilocularis	protein kinase c epsilon type	0.0031	0.022	0.022
Echinococcus granulosus	dnaJ subfamily C 6	0.0061	0.0561	0.1791
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0141	0.2371
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0758	0.3375
Echinococcus granulosus	RUN	0.002	0.0084	0.0268
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0017	0.0053	0.0236
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0195	0.0578
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0195	0.3407
Schistosoma mansoni	serine/threonine protein kinase	0.011	0.112	0.3401
Onchocerca volvulus		0.0082	0.0796	0.3038
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0372	0.0372
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.0954	0.3045
Schistosoma mansoni	rab6-interacting	0.002	0.0084	0.0255
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0141	0.0988
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0017	0.0053	0.0236
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0324	0.0324
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0405	0.1294
Echinococcus granulosus	Protein kinase C brain isozyme	0.011	0.112	0.3577
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0537	1
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0078	0.0758	0.2302
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0141	0.0988
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.02	0.064
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0017	0.0053	0.0053
Schistosoma mansoni	loxhd1	0.002	0.0084	0.0255
Onchocerca volvulus	Chorion peroxidase homolog	0.0082	0.0796	0.3038
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Onchocerca volvulus		0.0014	0.0024	0.0024
Entamoeba histolytica	hypothetical protein	0.0071	0.0675	0.5912
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0537	0.0537
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0017	0.0053	0.0165
Onchocerca volvulus	Matrilysin homolog	0.0174	0.1855	0.7179
Loa Loa (eye worm)	animal heme peroxidase	0.0082	0.0796	0.3541
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0263	0.117
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.0405	0.1513
Onchocerca volvulus	Peroxidase homolog	0.0082	0.0796	0.3038
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0372	0.1656
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0024	0.0109
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.0195	0.3407
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0285	0.3132	0.3132
Echinococcus granulosus	protein kinase c epsilon type	0.0031	0.022	0.0701
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0017	0.0053	0.0236
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0035	0.0331
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0263	0.0263
Onchocerca volvulus	Dual oxidase homolog	0.0082	0.0796	0.3038
Brugia malayi	Hemopexin family protein	0.0111	0.1135	0.505
Brugia malayi	Blistered cuticle protein 3	0.0082	0.0796	0.3541
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0195	0.5
Echinococcus granulosus	unc 13 munc13	0.0014	0.0024	0.0078
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0108	0.1106	1
Brugia malayi	Doublecortin family protein	0.002	0.0084	0.0374
Echinococcus granulosus	protein kinase c iota type	0.0029	0.0191	0.061
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0405	0.1294
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.022	0.0667
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Loa Loa (eye worm)	animal heme peroxidase	0.0082	0.0796	0.3541
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0955	0.4249
Brugia malayi	Pre-SET motif family protein	0.003	0.02	0.0892
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0537	0.2388
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0481	0.1536
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0537	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0675	0.0675
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0141	0.2371
Echinococcus multilocularis	peroxidasin	0.0082	0.0796	0.0796
Brugia malayi	Animal haem peroxidase family protein	0.0082	0.0796	0.3541
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0014	0.0018	0.0081
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0084	0.0084
Onchocerca volvulus		0.0082	0.0796	0.3038
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0014	0.0018	0.0081
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0053	0.0161
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0078	0.0758	0.0758
Schistosoma mansoni	hypothetical protein	0.0111	0.1135	0.3444
Echinococcus multilocularis	dnaJ subfamily C 6	0.0061	0.0561	0.0561
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0372	0.1188
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Schistosoma mansoni	rab6-interacting	0.002	0.0084	0.0255
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0405	0.0405
Echinococcus granulosus	peroxidasin	0.0082	0.0796	0.254
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0095	0.0955	0.859
Loa Loa (eye worm)	matrix metalloproteinase	0.0078	0.0758	0.3375
Onchocerca volvulus		0.0082	0.0796	0.3038
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0053	0.0236
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0263	0.0839
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0081	0.0791	0.3521
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.02	0.02
Brugia malayi	6-phosphofructokinase	0.0108	0.1106	0.492
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0017	0.0053	0.0053
Brugia malayi	hypothetical protein	0.002	0.0084	0.0374
Echinococcus granulosus	peregrin	0.0029	0.0192	0.0614
Schistosoma mansoni	hypothetical protein	0.002	0.0084	0.0255
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0018	0.0055
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.0195	0.1348
Plasmodium falciparum	plasmepsin I	0.0059	0.0537	1
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0675	0.205
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0263	0.0798
Onchocerca volvulus		0.002	0.0084	0.0257
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0053	0.0236
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Onchocerca volvulus		0.0236	0.2577	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0035	0.0035
Schistosoma mansoni	hypothetical protein	0.0061	0.0561	0.1703
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0675	0.2156
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1106	0.418
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0083	0.0808	0.2454
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.0195	0.0578
Brugia malayi	Pre-SET motif family protein	0.0208	0.2247	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0537	0.1629
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.0195	0.3407
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0188	0.06
Schistosoma mansoni	polycystin 1-related	0.002	0.0084	0.0255
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0035	0.0107
Echinococcus granulosus	serine:threonine protein kinase N2	0.0017	0.0053	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0537	0.2388
Schistosoma mansoni	hypothetical protein	0.0166	0.1763	0.5351
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0014	0.0024	0.0024
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.0195	0.5
Brugia malayi	Bromodomain containing protein	0.0029	0.0192	0.0856
Brugia malayi	Matrixin family protein	0.0078	0.0758	0.3375
Brugia malayi	Protein kinase domain containing protein	0.0017	0.0053	0.0236
Entamoeba histolytica	hypothetical protein	0.0071	0.0675	0.5912
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0017	0.0053	0.0169
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.0729	0.2212
Plasmodium falciparum	plasmepsin VI	0.0059	0.0537	1
Echinococcus multilocularis	geminin	0.0166	0.1763	0.1763
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Onchocerca volvulus	Peroxidasin homolog	0.0082	0.0796	0.3038
Toxoplasma gondii	phosphofructokinase PFKII	0.0029	0.0195	0.3407
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0084	0.127
Loa Loa (eye worm)	hypothetical protein	0.009	0.0896	0.3989
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0018	0.0081
Brugia malayi	aspartic protease BmAsp-2, identical	0.0014	0.0018	0.0081
Brugia malayi	MH2 domain containing protein	0.0117	0.12	0.5341
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0035	0.0157
Brugia malayi	hypothetical protein	0.0071	0.0675	0.3005
Schistosoma mansoni	hypothetical protein	0.0029	0.0192	0.0584
Onchocerca volvulus	Peroxidase homolog	0.0082	0.0796	0.3038
Toxoplasma gondii	AGC kinase	0.0017	0.0053	0.067
Schistosoma mansoni	peroxidasin	0.0082	0.0796	0.2415
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0372	0.1188
Trichomonas vaginalis	AGC family protein kinase	0.0017	0.0053	0.0017
Brugia malayi	hypothetical protein	0.0016	0.0041	0.0181
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0035	0.0035
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0141	0.2371
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0084	0.0374
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.1106	0.3356
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0796	0.3541
Brugia malayi	Protein kinase c protein 2	0.0093	0.0929	0.4136
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.011	0.112	0.112
Plasmodium vivax	SET domain protein, putative	0.003	0.02	0.3515
Brugia malayi	DnaJ domain containing protein	0.0061	0.0561	0.2496
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0758	0.3375
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0017	0.0053	0.0236
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0017	0.0053	0.0053
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.1106	0.418
Entamoeba histolytica	hypothetical protein	0.0071	0.0675	0.5912
Loa Loa (eye worm)	blistered cuticle protein 3	0.0082	0.0796	0.3541
Leishmania major	ATP-dependent phosphofructokinase	0.0108	0.1106	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0017	0.0053	0.0053
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.0195	0.0578
Mycobacterium ulcerans	hydrolase	0.0095	0.0955	0.7439

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.69 uM	In vitro inhibition of cathepsin D.	ChEMBL.	No reference
IC50 (binding)	= 0.69 uM	In vitro inhibition of cathepsin D.	ChEMBL.	No reference
Inhibition (functional)	= 1 %	Evaluated for the inhibition of fluorescence quenching before the release of 7-amido-4-methylcourmarin (AMC).	ChEMBL.	No reference
Inhibition (binding)	= 19 %	Compound was evaluated for the inhibition of leucine amino peptidase.	ChEMBL.	No reference
Inhibition (binding)	= 19 %	Compound was evaluated for the inhibition of leucine amino peptidase.	ChEMBL.	No reference

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: CHEMBL69180

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 113813