TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 421.467 | Formula: C19H23N3O6S
H donors: 2 H acceptors: 6 LogP: 2.74 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)C(N(S(=O)(=O)c1c(C)cc(cc1C)C)Cc1ccc(cc1)[N+](=O)[O-])C
InChi: 1S/C19H23N3O6S/c1-12-9-13(2)18(14(3)10-12)29(27,28)21(15(4)19(23)20-24)11-16-5-7-17(8-6-16)22(25)26/h5-10,15,24H,11H2,1-4H3,(H,20,23)
InChiKey: VKZSSQAFWGLMLC-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

Species	Target name	Source	Bibliographic reference
Clostridium perfringens (strain 13 / Type A)	Microbial collagenase	Starlite/ChEMBL	References

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
Echinococcus granulosus	cpg binding protein	0.0035	0.0207	0.0295
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0127	0.1141	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0624	0.0712
Schistosoma mansoni	hypothetical protein	0.0073	0.0594	0.0818
Echinococcus multilocularis	calpain	0.002	0.0061	0.0087
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Echinococcus granulosus	calpain	0.002	0.0061	0.0087
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0061	0.0876
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0198	0.0282
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.006	0.0459	0.5
Schistosoma mansoni	gabp alpha	0.0078	0.0639	0.0882
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0241	0.2282	0.3255
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0168	0.0192
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0123	0.0855
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0198	0.0282
Echinococcus multilocularis	calpain 7 (C02 family)	0.002	0.0061	0.0087
Echinococcus multilocularis	zinc finger protein	0.0027	0.0126	0.018
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0049	0.0354	0.2933
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0123	0.014
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0273	0.0311
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0026	0.0119	0.0138
Echinococcus granulosus	fetal alzheimer antigen falz	0.0026	0.0119	0.017
Onchocerca volvulus		0.0127	0.1141	0.1045
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Leishmania major	hypothetical protein, conserved	0.0026	0.0123	0.2305
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0127	0.1141	0.16
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0241	0.2282	0.3233
Loa Loa (eye worm)	calpain family protein 1	0.0054	0.0398	0.0454
Entamoeba histolytica	hypothetical protein	0.0038	0.0236	0.136
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.006	0.0459	1
Schistosoma mansoni	zinc finger protein	0.0027	0.0126	0.0148
Plasmodium falciparum	plasmepsin VII	0.0025	0.0106	0.0886
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.006	0.0459	0.0523
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.006	0.0459	1
Echinococcus granulosus	dnaJ subfamily B	0.044	0.4295	0.6127
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0241	0.2282	0.3255
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0526	0.0599
Brugia malayi	PHD-finger family protein	0.0032	0.0184	0.0188
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.0061	0.0876
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0049	0.0354	0.0506
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0028	0.0124
Echinococcus granulosus	calpain A	0.0056	0.0422	0.0603
Schistosoma mansoni	ets-related	0.0236	0.2232	0.3162
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0236	0.0337
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Trichomonas vaginalis	rotamase, putative	0.0035	0.021	0.0008
Echinococcus granulosus	calpain A	0.002	0.0061	0.0087
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0061	0.0876
Brugia malayi	calpain 7	0.002	0.0061	0.0047
Schistosoma mansoni	cpg binding protein	0.0035	0.0207	0.0264
Plasmodium falciparum	plasmepsin III	0.0025	0.0106	0.0886
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0105	0.0914	0.1275
Trichomonas vaginalis	set domain proteins, putative	0.1006	1	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Echinococcus granulosus	GPCR family 2	0.0034	0.0198	0.0282
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.0565	0.0776
Schistosoma mansoni	hypothetical protein	0.0038	0.0236	0.0306
Echinococcus multilocularis	calpain family protein 1, d	0.004	0.0255	0.0364
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0025	0.0106	0.0121
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0123	0.2305
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.0935	0.1047
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Echinococcus multilocularis	dnaJ subfamily B	0.044	0.4295	0.6127
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0127	0.1141	0.16
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.006	0.0459	0.3871
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0042	0.0027
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0042	0.0059
Entamoeba histolytica	hypothetical protein	0.0038	0.0236	0.136
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0162	0.1488	0.2122
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0236	0.0337
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0028	0.004
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0061	0.0876
Brugia malayi	Pepsin A precursor	0.0025	0.0106	0.0099
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0054	0.0398	0.0537
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0028	0.004
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0106	0.0121
Schistosoma mansoni	hypothetical protein	0.0022	0.008	0.0083
Brugia malayi	hypothetical protein	0.0017	0.0029	0.001
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0028	0.0124
Plasmodium vivax	SET domain protein, putative	0.0127	0.1141	1
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0105	0.0914	0.0727
Plasmodium falciparum	plasmepsin I	0.0105	0.0914	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0028	0.0124
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0028	0.004
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0028	0.004
Brugia malayi	Pre-SET motif family protein	0.0884	0.877	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0106	0.0121
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0146	0.1326	0.1891
Brugia malayi	exodeoxyribonuclease III family protein	0.006	0.0459	0.0502
Plasmodium vivax	aspartyl protease, putative	0.0025	0.0106	0.0705
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.006	0.0459	0.0654
Plasmodium vivax	aspartyl protease, putative	0.0025	0.0106	0.0705
Plasmodium falciparum	plasmepsin IX	0.0025	0.0106	0.0886
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.006	0.0459	1
Plasmodium falciparum	plasmepsin VIII, putative	0.0025	0.0106	0.0886
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0078	0.0639	0.0729
Loa Loa (eye worm)	hypothetical protein	0.004	0.0255	0.0291
Schistosoma mansoni	ap endonuclease	0.006	0.0459	0.0624
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0198	0.0282
Schistosoma mansoni	ap endonuclease	0.006	0.0459	0.0624
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0049	0.0354	0.0156
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.0365	0.3539	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1326	0.1512
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.0935	0.1066
Brugia malayi	Ets-domain containing protein	0.0078	0.0639	0.0708
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0025	0.0106	0.012
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.006	0.0459	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Echinococcus granulosus	geminin	0.0709	0.7011	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0123	0.0855
Plasmodium vivax	aspartyl proteinase, putative	0.0025	0.0106	0.0705
Onchocerca volvulus		0.0031	0.0168	0.0062
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0241	0.2282	0.3255
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0028	0.0124
Schistosoma mansoni	bromodomain containing protein	0.0074	0.06	0.0827
Trypanosoma brucei	antigen, putative	0.002	0.0061	0.0876
Plasmodium vivax	aspartyl proteinase, putative	0.0105	0.0914	0.7958
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0884	0.877	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.0594	0.0657
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0123	0.1074
Plasmodium falciparum	plasmepsin V	0.0025	0.0106	0.0886
Echinococcus multilocularis	calpain A	0.0056	0.0422	0.0603
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0236	0.0306
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0289	0.2952
Schistosoma mansoni	hypothetical protein	0.0034	0.0198	0.0251
Plasmodium falciparum	plasmepsin IV	0.0105	0.0914	1
Schistosoma mansoni	calpain C (C02 family)	0.002	0.0061	0.0055
Plasmodium vivax	plasmepsin IV, putative	0.0105	0.0914	0.7958
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0105	0.0914	0.1303
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0123	0.2305
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0049	0.0354	0.2933
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0241	0.2282	0.3255
Brugia malayi	calpain family protein 1	0.0054	0.0398	0.0433
Schistosoma mansoni	Mername-AA248 (C02 family)	0.002	0.0061	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0935	0.1066
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.0422	0.0603
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0241	0.2282	0.3233
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0035	0.021	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0594	0.0677
Brugia malayi	acetyltransferase, GNAT family protein	0.0162	0.1488	0.1678
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0028	0.0008
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.002	0.0061	0.0876
Loa Loa (eye worm)	acetyltransferase	0.0162	0.1488	0.1697
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0028	0.004
Echinococcus multilocularis	GA binding protein alpha chain	0.0078	0.0639	0.0912
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.021	0.0008
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0201	0.4101
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.0459	0.0263
Schistosoma mansoni	calpain (C02 family)	0.002	0.0061	0.0055
Plasmodium falciparum	plasmepsin X	0.0025	0.0106	0.0886
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0241	0.2282	0.2586
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0198	0.0226
Echinococcus granulosus	GA binding protein alpha chain	0.0078	0.0639	0.0912
Schistosoma mansoni	memapsin-2 (A01 family)	0.0025	0.0106	0.012
Brugia malayi	hypothetical protein	0.0025	0.0106	0.0099
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0028	0.001
Plasmodium vivax	calpain, putative	0.002	0.0061	0.0294
Loa Loa (eye worm)	bromodomain containing protein	0.0023	0.0088	0.01
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0035	0.021	0.0217
Schistosoma mansoni	cpg binding protein	0.0035	0.0207	0.0264
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.006	0.0459	1
Toxoplasma gondii	peptidylprolyl isomerase	0.0034	0.0201	0.1559
Toxoplasma gondii	aspartyl protease ASP3	0.0025	0.0106	0.0705
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0061	0.0876
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.0935	0.1047
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0155	0.1417	0.2022
Echinococcus granulosus	expressed protein	0.0035	0.021	0.0299
Toxoplasma gondii	aspartyl protease ASP1	0.0105	0.0914	0.7958
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0042	0.0059
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0198	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0914	0.1042
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0146	0.1326	0.1865
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0105	0.0914	0.1303
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0049	0.0354	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0198	0.0226
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0028	0.0124
Brugia malayi	hypothetical protein	0.0038	0.0236	0.0248
Entamoeba histolytica	hypothetical protein	0.0038	0.0236	0.136
Schistosoma mansoni	hypothetical protein	0.044	0.4295	0.6115
Schistosoma mansoni	hypothetical protein	0.0709	0.7011	1
Plasmodium vivax	aspartyl protease, putative	0.0025	0.0106	0.0705
Echinococcus multilocularis	geminin	0.0709	0.7011	1
Plasmodium vivax	plasmepsin V, putative	0.0025	0.0106	0.0705
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0123	0.2305
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0198	0.0282
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Brugia malayi	Pre-SET motif family protein	0.0127	0.1141	0.1282
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.0061	0.0055
Plasmodium falciparum	plasmepsin II	0.0105	0.0914	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0422	0.0572
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0241	0.2282	0.3233
Brugia malayi	Ets-domain containing protein	0.0078	0.0639	0.0708
Brugia malayi	aspartic protease BmAsp-2, identical	0.0025	0.0106	0.0099
Brugia malayi	calpain family protein 1	0.0054	0.0398	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0377	0.0429
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0241	0.2282	0.2602
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0028	0.0032
Loa Loa (eye worm)	aspartyl protease 6	0.0025	0.0106	0.0121
Loa Loa (eye worm)	fli-1 protein	0.0236	0.2232	0.2545
Schistosoma mansoni	cpg binding protein	0.0031	0.0168	0.0208
Schistosoma mansoni	rotamase	0.0035	0.021	0.0268
Brugia malayi	aspartic protease BmAsp-1, identical	0.0025	0.0106	0.0099
Echinococcus granulosus	calpain 7 C02 family	0.002	0.0061	0.0087
Echinococcus multilocularis	expressed protein	0.0035	0.021	0.0299
Schistosoma mansoni	cathepsin D (A01 family)	0.0309	0.2973	0.4222
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0146	0.1326	0.1865
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0061	0.0876
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0201	0.4101
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0198	0.0204
Toxoplasma gondii	aspartyl protease	0.0025	0.0106	0.0705
Schistosoma mansoni	hypothetical protein	0.0709	0.7011	1
Toxoplasma gondii	exonuclease III APE	0.006	0.0459	0.3871
Echinococcus granulosus	zinc finger protein	0.0027	0.0126	0.018
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0338	0.0385
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0061	0.0876
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0042	0.0027
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0025	0.0106	0.0099
Trichomonas vaginalis	ap endonuclease, putative	0.006	0.0459	0.0263
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0247	0.0352
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0198	0.0204
Onchocerca volvulus		0.0033	0.0194	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0194	0.0221
Schistosoma mansoni	hypothetical protein	0.0034	0.0198	0.0251
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0162	0.1488	0.2097
Schistosoma mansoni	hypothetical protein	0.0034	0.0198	0.0251
Echinococcus multilocularis	cpg binding protein	0.0035	0.0207	0.0295
Plasmodium falciparum	plasmepsin VI	0.0105	0.0914	1
Brugia malayi	Bromodomain containing protein	0.0086	0.0728	0.0809
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0422	0.0572
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0289	0.3418
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0025	0.0106	0.0705
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0122	0.1087	0.1551
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.006	0.0459	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.006	0.0459	1
Echinococcus granulosus	calpain 5	0.002	0.0061	0.0087
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0201	0.4101
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.006	0.0459	0.4864
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0061	0.0876
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0168	0.017
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0061	0.0876
Brugia malayi	Bromodomain containing protein	0.0045	0.0312	0.0334
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0105	0.0914	0.7958
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.0562	0.0801
Toxoplasma gondii	histone lysine methyltransferase SET1	0.007	0.0559	0.4772
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0028	0.004
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0028	0.001
Loa Loa (eye worm)	calpain family protein 1	0.004	0.0255	0.0291
Schistosoma mansoni	cathepsin D (A01 family)	0.0309	0.2973	0.4222
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0105	0.0914	0.1042
Echinococcus granulosus	histone lysine methyltransferase setb	0.0146	0.1326	0.1891
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0247	0.0352
Brugia malayi	Fli-1 protein	0.0236	0.2232	0.2529
Treponema pallidum	exodeoxyribonuclease (exoA)	0.006	0.0459	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.0562	0.0801
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.0422	0.0603
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0127	0.1141	0.1627
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.008	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0337	0.0384
Loa Loa (eye worm)	calpain	0.002	0.0061	0.0069
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0049	0.0354	0.2933
Entamoeba histolytica	hypothetical protein	0.0038	0.0236	0.136
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0061	0.0876
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0201	0.4101
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.0061	0.0055
Brugia malayi	hypothetical protein	0.0025	0.0106	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0398	0.0454
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0123	0.1074
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.006	0.0459	0.0654
Schistosoma mansoni	polycystin 1-related	0.0032	0.018	0.0226
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0061	0.0876
Schistosoma mansoni	hypothetical protein	0.0034	0.0198	0.0251
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0026	0.0119	0.017
Brugia malayi	hypothetical protein	0.0026	0.0123	0.0118
Echinococcus multilocularis	hypothetical protein	0.002	0.0061	0.0087
Echinococcus multilocularis	calpain 5	0.002	0.0061	0.0087

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 17 uM	Inhibition of Clostridium histolyticum collagenase using a linear regression program	ChEMBL.	10743957
Ki (binding)	= 17 uM	Inhibition of Clostridium histolyticum collagenase using a linear regression program	ChEMBL.	10743957

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

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

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 254071