TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 633.754 | Formula: C34H39N3O7S
H donors: 5 H acceptors: 6 LogP: 2.72 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: OCc1ccc(cc1)OCC(=O)N[C@H]([C@@H](C(=O)N1CSC([C@H]1C(=O)N[C@@H]1[C@H](O)Cc2c1cccc2)(C)C)O)Cc1ccccc1
InChi: 1S/C34H39N3O7S/c1-34(2)31(32(42)36-29-25-11-7-6-10-23(25)17-27(29)39)37(20-45-34)33(43)30(41)26(16-21-8-4-3-5-9-21)35-28(40)19-44-24-14-12-22(18-38)13-15-24/h3-15,26-27,29-31,38-39,41H,16-20H2,1-2H3,(H,35,40)(H,36,42)/t26-,27+,29-,30-,31+/m0/s1
InChiKey: RJJNWINGYKEUKL-VFCPCCRCSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	plasmepsin II	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Theileria parva	pepsinogen, 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
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	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
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	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
Theileria parva	cathepsin E, putative	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
Plasmodium knowlesi	plasmepsin IV, putative	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
Schistosoma mansoni	subfamily A1A unassigned peptidase (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
Plasmodium berghei	plasmepsin IV	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 I	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
Schistosoma japonicum	Cathepsin D precursor, 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
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	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
Neospora caninum	Renin, related	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
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	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
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
Loa Loa (eye worm)	aspartic protease BmAsp-2	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
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	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

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
Plasmodium falciparum	DNA gyrase subunit B	0.1991	0.1403	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0131
Mycobacterium ulcerans	lipase LipD	0.0039	0.0013	0.0009
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0103	0.0059	0.0402
Mycobacterium ulcerans	DNA gyrase subunit A	0.0619	0.0426	0.0423
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0063	0.003	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0082	0.0851
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Leishmania major	DNA topoisomerase III, putative	0.0156	0.0097	0.0677
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0103	0.0059	0.0056
Chlamydia trachomatis	DNA gyrase subunit A	0.0256	0.0167	0.0806
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0034	0.0222
Leishmania major	DNA topoisomerase 1A	0.0156	0.0097	0.0677
Onchocerca volvulus		0.0039	0.0013	0.0171
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0103	0.0059	0.0056
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0156	0.0097	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0131
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Giardia lamblia	DNA topoisomerase III	0.0156	0.0097	0.1049
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0013	0.0097
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0247	0.0161	0.0158
Loa Loa (eye worm)	TOPoisomerase family member	0.1378	0.0966	1
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0103	0.0059	0.0337
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0013	0.0131
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0088	0.0048	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0714	0.0494	0.5108
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0013	0.0009
Schistosoma mansoni	pyruvate dehydrogenase	0.0103	0.0059	0.0608
Loa Loa (eye worm)	glutaminase 2	0.0293	0.0194	0.2008
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trypanosoma brucei	DNA topoisomerase III, putative	0.0156	0.0097	0.0613
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0013	0.0097
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0103	0.0059	0.0576
Plasmodium falciparum	DNA topoisomerase 2	0.1378	0.0966	0.6887
Schistosoma mansoni	hypothetical protein	0.0182	0.0115	0.1186
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.1378	0.0966	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0008	0.0083
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0103	0.0059	0.0056
Schistosoma mansoni	hypothetical protein	0.0182	0.0115	0.1186
Mycobacterium ulcerans	integral membrane indolylacetylinositol arabinosyltransferase EmbB	1.4064	1	1
Echinococcus granulosus	lamin	0.0029	0.0006	0.0026
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0103	0.0059	0.0056
Loa Loa (eye worm)	endoplasmin	0.0129	0.0077	0.0796
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0156	0.0097	0.0666
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0156	0.0097	0.0613
Onchocerca volvulus		0.0255	0.0167	0.2265
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0156	0.0097	0.0999
Mycobacterium tuberculosis	Integral membrane indolylacetylinositol arabinosyltransferase EmbA (arabinosylindolylacetylinositol synthase)	1.4064	1	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0088	0.0048	0.0498
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0008	0.0083
Entamoeba histolytica	DNA topoisomerase II, putative	0.1378	0.0966	1
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0103	0.0059	0.0056
Trypanosoma brucei	DNA topoisomerase ii	0.1962	0.1382	1
Giardia lamblia	DNA topoisomerase II	0.1275	0.0893	1
Mycobacterium ulcerans	putative regultory protein	0.0103	0.0059	0.0056
Schistosoma mansoni	lamin	0.0029	0.0006	0.0059
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0156	0.0097	0.0969
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0013	0.0009
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0013	0.0068
Plasmodium falciparum	DNA gyrase subunit A	0.0619	0.0426	0.3035
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0103	0.0059	0.0396
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0013	0.0009
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0088	0.0048	0.0466
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0103	0.0059	0.0056
Leishmania major	DNA topoisomerase ii	0.1222	0.0855	0.6178
Trypanosoma cruzi	heat shock protein 85, putative	0.0129	0.0077	0.0534
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0013	0.0068
Echinococcus multilocularis	heat shock protein	0.0129	0.0077	0.0765
Toxoplasma gondii	DNA topoisomerase family protein	0.0156	0.0097	0.0995
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.087	0.0605	0.6247
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0013	0.0009
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0013	0.0009
Brugia malayi	beta-lactamase family protein	0.0039	0.0013	0.0131
Leishmania major	cathepsin L-like protease	0.0068	0.0034	0.0222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Plasmodium falciparum	heat shock protein 90	0.0129	0.0077	0.0548
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0103	0.0059	0.0056
Mycobacterium ulcerans	integral membrane indolylacetylinositol arabinosyltransferase EmbC	1.4064	1	1
Brugia malayi	Pre-SET motif family protein	0.0032	0.0008	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0048	0.0498
Toxoplasma gondii	ABC1 family protein	0.0039	0.0013	0.013
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0103	0.0059	0.0056
Mycobacterium ulcerans	glutaminase	0.0293	0.0194	0.0191
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0013	0.0097
Trypanosoma cruzi	DNA topoisomerase II, putative	0.1222	0.0855	0.6178
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0156	0.0097	0.0999
Plasmodium falciparum	endoplasmin, putative	0.0117	0.0068	0.0485
Trypanosoma brucei	heat shock protein 90, putative	0.0129	0.0077	0.0469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0013	0.0131
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Brugia malayi	kinase, mitochondrial precursor	0.0103	0.0059	0.0608
Plasmodium vivax	heat shock protein 86, putative	0.0129	0.0077	0.0548
Chlamydia trachomatis	DNA gyrase subunit A	0.0619	0.0426	0.273
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.1991	0.1403	1
Plasmodium falciparum	plasmepsin II	0.0088	0.0048	0.0343
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Plasmodium falciparum	plasmepsin VI	0.0088	0.0048	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0005	0.0055
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0013	0.0131
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0013	0.0097
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0013	0.0009
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0008	0.0083
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	0.0034	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0644	0.0444	0.4591
Brugia malayi	Pre-SET motif family protein	0.0224	0.0145	0.1499
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.1378	0.0966	1
Mycobacterium leprae	Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0193	0.0123	0.0119
Brugia malayi	DNA topoisomerase III beta-1	0.0156	0.0097	0.0999
Giardia lamblia	DNA topoisomerase III	0.0156	0.0097	0.1049
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0013	0.0009
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0156	0.0097	0.0677
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0013	0.0009
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0103	0.0059	0.0056
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0103	0.0059	0.0056
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1962	0.1382	1
Chlamydia trachomatis	DNA topoisomerase I	0.0156	0.0097	0.0281
Trypanosoma brucei	heat shock protein 90, putative	0.0129	0.0077	0.0469
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0006	0.0059
Plasmodium falciparum	plasmepsin IV	0.0088	0.0048	0.0343
Toxoplasma gondii	heat shock protein HSP90	0.0129	0.0077	0.0792
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0103	0.0059	0.0056
Leishmania major	DNA topoisomerase III, putative	0.0156	0.0097	0.0677
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0008	0.0049
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.1384	0.0971	1
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0013	0.0009
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0156	0.0097	0.0969
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Leishmania major	cathepsin L-like protease	0.0068	0.0034	0.0222
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0103	0.0059	0.0576
Loa Loa (eye worm)	glutaminase	0.0293	0.0194	0.2008
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0013	0.009
Plasmodium vivax	DNA topoisomerase II, putative	0.1378	0.0966	0.6887
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0006	0.0059
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0156	0.0097	0.0677
Brugia malayi	beta-lactamase	0.0039	0.0013	0.0131
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0103	0.0059	0.0576
Trichomonas vaginalis	receptor histidine kinase, putative	0.0103	0.0059	0.0576
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.1056	0.0737	1
Loa Loa (eye worm)	heat shock protein 90	0.0129	0.0077	0.0796
Plasmodium vivax	SET domain protein, putative	0.0032	0.0008	0.0057
Trichomonas vaginalis	endoplasmin, putative	0.0117	0.0068	0.0673
Plasmodium vivax	DNA gyrase subunit A, putative	0.0619	0.0426	0.3035
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0103	0.0059	0.0056
Toxoplasma gondii	aspartyl protease ASP1	0.0088	0.0048	0.0496
Chlamydia trachomatis	DNA gyrase subunit B	0.1408	0.0988	0.6909
Brugia malayi	intermediate filament protein	0.0029	0.0006	0.0059
Brugia malayi	Endoplasmin precursor	0.0129	0.0077	0.0796
Schistosoma mansoni	cathepsin D (A01 family)	0.0088	0.0048	0.0498
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0013	0.0097
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0103	0.0059	0.0337
Echinococcus granulosus	heat shock protein 90	0.0129	0.0077	0.0765
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0008	0.0083
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0103	0.0059	0.0056
Entamoeba histolytica	DNA topoisomerase III, putative	0.0156	0.0097	0.0221
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0103	0.0059	0.0056
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0103	0.0059	0.0056
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0013	0.0131
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0013	0.0009
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.1222	0.0855	0.6151
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0006	0.0059
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0619	0.0426	0.3019
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0013	0.0097
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0006	0.0059
Schistosoma mansoni	endoplasmin	0.0129	0.0077	0.0796
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0088	0.0048	0.0498
Mycobacterium tuberculosis	Integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase)	1.4064	1	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0013	0.0009
Plasmodium falciparum	plasmepsin I	0.0088	0.0048	0.0343
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0013	0.0009
Echinococcus granulosus	lamin dm0	0.0029	0.0006	0.0026
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0131
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0013	0.0009
Schistosoma mansoni	endoplasmin	0.0129	0.0077	0.0796
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0103	0.0059	0.0576
Trichomonas vaginalis	esterase, putative	0.0039	0.0013	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0008	0.0083
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0619	0.0426	0.3019
Brugia malayi	Probable DNA topoisomerase II	0.1378	0.0966	1
Echinococcus multilocularis	rho GTPase activating protein 20	0.0156	0.0097	0.0969
Trichomonas vaginalis	heat shock protein, putative	0.0129	0.0077	0.0765
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0156	0.0097	0.0969
Plasmodium vivax	endoplasmin, putative	0.0129	0.0077	0.0548
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.1056	0.0737	1
Loa Loa (eye worm)	hypothetical protein	0.0644	0.0444	0.4591
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0008	0.0049
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.0145	0.1499
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0013	0.0009
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0103	0.0059	0.0576
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0619	0.0426	0.0423
Echinococcus multilocularis	lamin dm0	0.0029	0.0006	0.0026
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.0167	0.17
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0008	0.0083
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Trypanosoma cruzi	heat shock protein 85, putative	0.0129	0.0077	0.0534
Plasmodium vivax	DNA gyrase subunit B, putative	0.1991	0.1403	1
Giardia lamblia	Pms1-like protein	0.0103	0.0059	0.0624
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.1222	0.0855	0.6151
Schistosoma mansoni	heat shock protein	0.0129	0.0077	0.0796
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0013	0.0097
Trypanosoma cruzi	DNA topoisomerase II, putative	0.1222	0.0855	0.6178
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0131
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0103	0.0059	0.0576
Trypanosoma cruzi	Heat shock protein 83, putative	0.0129	0.0077	0.0534
Mycobacterium ulcerans	two component sensor kinase MprB	0.0103	0.0059	0.0056
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0088	0.0048	0.0466
Mycobacterium ulcerans	integral membrane indolylacetylinositol arabinosyltransferase EmbA	1.4064	1	1
Brugia malayi	heat shock protein 90	0.0129	0.0077	0.0796
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0156	0.0097	0.0999
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.1378	0.0966	1
Leishmania major	cathepsin L-like protease	0.0068	0.0034	0.0222
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0034	0.0222
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.1056	0.0737	1
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0619	0.0426	0.4387
Trichomonas vaginalis	DNA topoisomerase II, putative	0.1378	0.0966	1
Echinococcus multilocularis	geminin	0.0182	0.0115	0.1156
Trypanosoma brucei	Heat shock protein 83, putative	0.0129	0.0077	0.0469
Trichomonas vaginalis	heat shock protein, putative	0.0117	0.0068	0.0673
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trichomonas vaginalis	receptor histidine kinase, putative	0.0103	0.0059	0.0576
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Loa Loa (eye worm)	DNA topoisomerase III	0.0156	0.0097	0.0999
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0156	0.0097	0.0969
Leishmania major	mitochondrial DNA topoisomerase II	0.1962	0.1382	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0156	0.0097	0.0995
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0103	0.0059	0.0402
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0103	0.0059	0.0056
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0103	0.0059	0.0056
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.072	0.0498	0.0495
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Mycobacterium ulcerans	DNA topoisomerase I	0.0156	0.0097	0.0093
Onchocerca volvulus		0.0029	0.0006	0.0078
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0156	0.0097	0.0677
Brugia malayi	DNA topoisomerase III	0.0156	0.0097	0.0999
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0103	0.0059	0.0396
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0103	0.0059	0.0396
Echinococcus multilocularis	musashi	0.0029	0.0006	0.0026
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0013	0.0131
Mycobacterium tuberculosis	Conserved protein	0.0103	0.0059	0.0056
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0034	0.0222
Trypanosoma cruzi	heat shock protein 85, putative	0.0129	0.0077	0.0534
Brugia malayi	GRF zinc finger family protein	0.0156	0.0097	0.0999
Schistosoma mansoni	DNA topoisomerase II	0.1378	0.0966	1
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0088	0.0048	0.0466
Trypanosoma cruzi	heat shock protein 90, putative	0.0129	0.0077	0.0534
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0008	0.0049
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0103	0.0059	0.0056
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0013	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0714	0.0494	0.5108
Onchocerca volvulus		0.0039	0.0013	0.0171
Plasmodium vivax	aspartyl proteinase, putative	0.0088	0.0048	0.0343
Onchocerca volvulus		0.0029	0.0006	0.0078
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0007	0.0041
Plasmodium vivax	plasmepsin IV, putative	0.0088	0.0048	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0013	0.0131
Plasmodium vivax	DNA topoisomerase 3, putative	0.0156	0.0097	0.0688
Trypanosoma cruzi	heat shock protein 90, putative	0.0116	0.0068	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0082	0.0851
Mycobacterium leprae	Probable two-component sensor kinase	0.0103	0.0059	0.0056
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0103	0.0059	0.0056
Mycobacterium leprae	Probable integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase)	1.4064	1	1
Echinococcus granulosus	geminin	0.0182	0.0115	0.1156
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0103	0.0059	0.0576
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0103	0.0059	0.0605
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1962	0.1382	1
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.1991	0.1403	0.14
Onchocerca volvulus		0.0032	0.0008	0.0109
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0103	0.0059	0.0402
Plasmodium vivax	hypothetical protein, conserved	0.0103	0.0059	0.0419
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0034	0.0155
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0129	0.0077	0.0828
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0103	0.0059	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0082	0.0851
Echinococcus multilocularis	heat shock protein 90	0.0129	0.0077	0.0765
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0156	0.0097	0.0677
Schistosoma mansoni	lamin	0.0029	0.0006	0.0059
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0088	0.0048	0.0498
Toxoplasma gondii	heat shock protein 90, putative	0.0129	0.0077	0.0792
Trichomonas vaginalis	glutaminase, putative	0.0293	0.0194	0.1981
Brugia malayi	beta-lactamase family protein	0.0039	0.0013	0.0131
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0013	0.0009
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trypanosoma brucei	DNA topoisomerase III, putative	0.0156	0.0097	0.0613
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0103	0.0059	0.0056
Plasmodium falciparum	DNA topoisomerase VI, b subunit, putative	0.0103	0.0059	0.0419
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0103	0.0059	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0059	0.0608
Toxoplasma gondii	DNA topoisomerase 2, putative	0.1378	0.0966	0.9956
Onchocerca volvulus		0.0039	0.0013	0.0171
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0156	0.0097	0.0969
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0156	0.0097	0.0688
Mycobacterium tuberculosis	Integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase)	1.4064	1	1
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.1378	0.0966	1
Mycobacterium ulcerans	DNA gyrase subunit B	0.1991	0.1403	0.14
Trichomonas vaginalis	sensor histidine kinase, putative	0.0103	0.0059	0.0576
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0103	0.0059	0.0605
Leishmania major	hypothetical protein, conserved	0.0103	0.0059	0.0402
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0103	0.0059	0.0056
Leishmania major	heat shock protein 83-1	0.0129	0.0077	0.0534
Echinococcus granulosus	intermediate filament protein	0.0029	0.0006	0.0026
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0156	0.0097	0.0677
Brugia malayi	glutaminase DH11.1	0.0293	0.0194	0.2008
Leishmania major	hypothetical protein, conserved	0.0039	0.0013	0.0068
Schistosoma mansoni	glutaminase	0.0293	0.0194	0.2008
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0006	0.0059
Trypanosoma brucei	heat shock protein, putative	0.0129	0.0077	0.0469
Echinococcus multilocularis	lamin	0.0029	0.0006	0.0026
Trypanosoma cruzi	major cysteine proteinase, putative	0.0054	0.0023	0.0146
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.1991	0.1403	1
Chlamydia trachomatis	DNA gyrase subunit B	0.1991	0.1403	1
Treponema pallidum	DNA topoisomerase I (topA)	0.0156	0.0097	0.0666
Entamoeba histolytica	DNA topoisomerase III, putative	0.0156	0.0097	0.0221
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0103	0.0059	0.0056
Schistosoma mansoni	heat shock protein	0.0129	0.0077	0.0796
Mycobacterium leprae	Probable integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase)	1.4064	1	1
Echinococcus granulosus	heat shock protein	0.0129	0.0077	0.0765
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0103	0.0059	0.0576
Onchocerca volvulus		0.0156	0.0097	0.131

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 1.1 uM	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 in type O+ human erythrocytes after 48 hrs as reduced [3H]hypoxanthine uptake	ChEMBL.	18952439
Inhibition (binding)	= 37 %	Inhibition of recombinant HIV1 protease at 50 nM	ChEMBL.	18952439
Ki (binding)	= 10 nM	Inhibition of Plasmodium falciparum plasmepsin-2	ChEMBL.	18952439

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18952439

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: CHEMBL448631

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 953410