TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 219.304 | Formula: C8H17N3O2S
H donors: 3 H acceptors: 2 LogP: -2.96 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=N)NCCSCC[C@H](C(=O)O)N
InChi: 1S/C8H17N3O2S/c1-6(9)11-3-5-14-4-2-7(10)8(12)13/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13)/t7-/m1/s1
InChiKey: MOLOJNHYNHBPCW-SSDOTTSWSA-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
Homo sapiens	nitric oxide synthase 2, inducible	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
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0018	0.0055	0.0208
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0065	0.0056
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.063	0.3872	1
Leishmania major	dihydroorotate dehydrogenase	0.1614	1	1
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0052	0.0272	0.049
Brugia malayi	jmjC domain containing protein	0.001	0.0009	0.0005
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0023	0.0087	0.0077
Echinococcus granulosus	lamin dm0	0.0018	0.0055	0.0143
Schistosoma mansoni	rab6-interacting	0.0019	0.0065	0.0056
Toxoplasma gondii	flavodoxin domain-containing protein	0.0029	0.0129	0.0119
Brugia malayi	Intermediate filament tail domain containing protein	0.0018	0.0055	0.0051
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0065	0.0056
Entamoeba histolytica	hypothetical protein	0.0023	0.0092	0.0177
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0023	0.0087	0.0077
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Brugia malayi	jmjC domain containing protein	0.001	0.0009	0.0005
Onchocerca volvulus		0.0435	0.2655	1
Echinococcus multilocularis	Protein lozenge	0.0055	0.0286	0.0737
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0038	0.0185	0.0477
Loa Loa (eye worm)	hypothetical protein	0.001	0.0009	0.0035
Echinococcus granulosus	JmjC domain containing protein 4	0.001	0.0009	0.0024
Brugia malayi	calpain family protein 1	0.0042	0.0207	0.0203
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0013	0.0024	0.0014
Echinococcus granulosus	phd:f box containing protein	0.001	0.0009	0.0024
Loa Loa (eye worm)	jmjC domain-containing protein	0.001	0.0009	0.0035
Brugia malayi	jmjC domain containing protein	0.001	0.0009	0.0005
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.003	0.0131	0.0122
Echinococcus granulosus	neuropeptide receptor A26	0.0302	0.1824	0.4712
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.1614	1	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0059	0.0314	0.0305
Schistosoma mansoni	loxhd1	0.0019	0.0065	0.0056
Schistosoma mansoni	hypothetical protein	0.0402	0.2448	0.2441
Echinococcus granulosus	peptidase Clp S14 family	0.0033	0.0154	0.0397
Onchocerca volvulus		0.0031	0.0142	0.0332
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0044	0.0221	0.0212
Brugia malayi	FAD binding domain containing protein	0.0037	0.0173	0.0169
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0065	0.0168
Onchocerca volvulus		0.003	0.0129	0.0286
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Loa Loa (eye worm)	calpain 5	0.0013	0.0024	0.0089
Echinococcus multilocularis	lamin	0.0018	0.0055	0.0143
Plasmodium falciparum	nitric oxide synthase, putative	0.0059	0.0314	0.0305
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0059	0.0314	0.0305
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0037	0.0173	0.0652
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0195	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0583	0.2197
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0059	0.0314	0.0305
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.1614	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0023	0.0092	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0435	0.2655	1
Plasmodium vivax	calpain, putative	0.0013	0.0024	0.0014
Echinococcus granulosus	GPCR family 2	0.0032	0.0147	0.0381
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.063	0.3872	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0147	0.0555
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0051	0.0263	0.0254
Entamoeba histolytica	hypothetical protein	0.0023	0.0092	0.0177
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0013	0.0024	0.0014
Schistosoma mansoni	hypothetical protein	0.007	0.0382	0.0373
Loa Loa (eye worm)	hypothetical protein	0.007	0.0382	0.1437
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0051	0.0263	0.068
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0065	0.0168
Plasmodium vivax	flavodoxin domain containing protein	0.0052	0.0272	0.0263
Loa Loa (eye worm)	calpain	0.0013	0.0024	0.0089
Echinococcus granulosus	calpain	0.0013	0.0024	0.0061
Schistosoma mansoni	hypothetical protein	0.0023	0.0092	0.0083
Echinococcus granulosus	intermediate filament protein	0.0018	0.0055	0.0143
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0009	0.0004	0.0016
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0023	0.0092	0.0237
Schistosoma mansoni	hypothetical protein	0.0032	0.0147	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0906	0.3414
Trypanosoma brucei	kinesin, putative	0.0013	0.0024	0.0014
Trypanosoma brucei	calpain-like protein, putative	0.0013	0.0024	0.0014
Leishmania major	hypothetical protein, conserved	0.0023	0.0087	0.0077
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0013	0.0024	0.0014
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0318	0.0309
Trypanosoma brucei	calpain-like protein, putative	0.0013	0.0024	0.0014
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0023	0.0087	0.0077
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0059	0.0314	0.1183
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0023	0.0092	0.0237
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0051	0.0263	0.068
Leishmania major	p450 reductase, putative	0.0059	0.0314	0.0305
Echinococcus granulosus	lysine specific demethylase 6a	0.001	0.0009	0.0024
Onchocerca volvulus		0.0019	0.0065	0.0038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.003	0.0131	0.0122
Trypanosoma cruzi	kinesin, putative	0.0013	0.0024	0.0014
Schistosoma mansoni	hypothetical protein	0.0032	0.0147	0.0138
Echinococcus multilocularis	phd:f box containing protein	0.001	0.0009	0.0024
Echinococcus granulosus	microtubule associated protein 2	0.045	0.2749	0.7101
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0051	0.0263	0.0254
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0013	0.0024	0.0014
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0059	0.0314	0.0305
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0013	0.0024	0.0014
Schistosoma mansoni	cpg binding protein	0.003	0.0131	0.0122
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0051	0.0263	1
Schistosoma mansoni	lipoxygenase	0.008	0.0446	0.0437
Brugia malayi	flavodoxin family protein	0.0023	0.0087	0.0082
Schistosoma mansoni	cpg binding protein	0.0028	0.0121	0.0112
Loa Loa (eye worm)	hypothetical protein	0.003	0.0129	0.0488
Loa Loa (eye worm)	hypothetical protein	0.003	0.0129	0.0488
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0087	0.0164
Loa Loa (eye worm)	jmjC domain-containing protein	0.001	0.0009	0.0035
Brugia malayi	hypothetical protein	0.0154	0.0906	0.0902
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1614	1	1
Schistosoma mansoni	diflavin oxidoreductase	0.0029	0.0129	0.0119
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.063	0.3872	1
Schistosoma mansoni	cytochrome P450 reductase	0.0059	0.0314	0.0305
Echinococcus multilocularis	JmjC domain containing protein 4	0.001	0.0009	0.0024
Echinococcus granulosus	jumonji domain containing 1A	0.001	0.0009	0.0024
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0147	0.0143
Loa Loa (eye worm)	jmjC domain-containing protein	0.001	0.0009	0.0035
Giardia lamblia	Hypothetical protein	0.0052	0.0272	0.5
Loa Loa (eye worm)	flavodoxin family protein	0.0023	0.0087	0.0326
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Echinococcus multilocularis	calpain A	0.0044	0.0221	0.057
Plasmodium falciparum	dihydroorotate dehydrogenase	0.1614	1	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0121	0.0117
Entamoeba histolytica	hypothetical protein	0.0023	0.0092	0.0177
Trypanosoma brucei	calpain-like protein, putative	0.0013	0.0024	0.0014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.003	0.0131	0.0122
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0065	0.0246
Schistosoma mansoni	hypothetical protein	0.0111	0.0634	0.0625
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0051	0.0263	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0018	0.0055	0.0046
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0059	0.0314	0.0811
Toxoplasma gondii	hypothetical protein	0.0018	0.0055	0.0046
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0147	0.0555
Echinococcus granulosus	cpg binding protein	0.003	0.0131	0.0339
Onchocerca volvulus		0.0028	0.0121	0.0254
Echinococcus granulosus	RUN	0.0019	0.0065	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0314	0.1183
Echinococcus multilocularis	calpain	0.0013	0.0024	0.0061
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0121	0.0457
Trypanosoma brucei	antigen, putative	0.0013	0.0024	0.0014
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0044	0.0221	0.057
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0059	0.0314	0.0305
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.063	0.3872	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0033	0.0154	0.0099
Leishmania major	cytochrome P450 reductase, putative	0.0052	0.0272	0.0263
Schistosoma mansoni	hypothetical protein	0.0032	0.0147	0.0138
Echinococcus granulosus	calpain A	0.0013	0.0024	0.0061
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.063	0.3872	1
Schistosoma mansoni	calpain (C02 family)	0.0013	0.0024	0.0014
Trichomonas vaginalis	sulfite reductase, putative	0.0059	0.0314	0.0601
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.1614	1	1
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0059	0.0314	0.0811
Schistosoma mansoni	jumonji domain containing protein	0.0038	0.0185	0.0175
Schistosoma mansoni	hypothetical protein	0.0111	0.0634	0.0625
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.063	0.3872	1
Schistosoma mansoni	NADPH flavin oxidoreductase	0.003	0.0131	0.0122
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.063	0.3872	1
Schistosoma mansoni	calpain C (C02 family)	0.0013	0.0024	0.0014
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.003	0.0131	0.034
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0207	0.0781
Echinococcus multilocularis	calpain 7 (C02 family)	0.0013	0.0024	0.0061
Echinococcus granulosus	neuropeptide s receptor	0.0302	0.1824	0.4712
Echinococcus multilocularis	geminin	0.0111	0.0634	0.1638
Brugia malayi	Zinc finger, C2H2 type family protein	0.063	0.3872	0.3869
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.0661	0.1707
Trypanosoma cruzi	p450 reductase, putative	0.0059	0.0314	0.0305
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0018	0.0055	0.0046
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0087	0.0164
Onchocerca volvulus		0.0019	0.0065	0.0038
Echinococcus granulosus	calpain 5	0.0013	0.0024	0.0061
Echinococcus multilocularis	calpain 5	0.0013	0.0024	0.0061
Schistosoma mansoni	hypothetical protein	0.0031	0.0142	0.0132
Entamoeba histolytica	hypothetical protein	0.0023	0.0092	0.0177
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0185	0.0477
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0147	0.0381
Echinococcus granulosus	calpain 7 C02 family	0.0013	0.0024	0.0061
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0147	0.0381
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0059	0.0314	0.0811
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0023	0.0087	0.0077
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0065	0.0168
Echinococcus multilocularis	musashi	0.0018	0.0055	0.0143
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.0661	0.1707
Brugia malayi	Doublecortin family protein	0.0019	0.0065	0.0061
Echinococcus granulosus	lamin	0.0018	0.0055	0.0143
Echinococcus granulosus	calpain A	0.0044	0.0221	0.057
Echinococcus multilocularis	lysine specific demethylase 6a	0.001	0.0009	0.0024
Schistosoma mansoni	cpg binding protein	0.003	0.0131	0.0122
Leishmania major	kinesin, putative	0.0013	0.0024	0.0014
Brugia malayi	hypothetical protein	0.0019	0.0065	0.0061
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.1614	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.045	0.2749	0.2742
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0044	0.0221	0.0212
Brugia malayi	calpain family protein 1	0.0042	0.0207	0.0203
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0278	0.0269
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0012	0.0019	0.005
Schistosoma mansoni	lamin	0.0018	0.0055	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0263	0.0992
Schistosoma mansoni	lozenge	0.0055	0.0286	0.0276
Echinococcus granulosus	survival motor neuron protein 1	0.0154	0.0906	0.2341
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.003	0.0131	0.0495
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0059	0.0314	0.0052
Echinococcus multilocularis	microtubule associated protein 2	0.045	0.2749	0.7101
Loa Loa (eye worm)	calpain family protein 1	0.0042	0.0207	0.0781
Echinococcus multilocularis	dnaJ subfamily B	0.0402	0.2448	0.6322
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0087	0.0164
Echinococcus granulosus	methionine synthase reductase	0.0037	0.0173	0.0447
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0031	0.0142	0.0137
Schistosoma mansoni	hypothetical protein	0.0019	0.0065	0.0056
Schistosoma mansoni	peptidase Clp (S14 family)	0.0051	0.0263	0.0254
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.0583	0.2197
Brugia malayi	flavodoxin family protein	0.0059	0.0314	0.031
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0044	0.0221	0.057
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0051	0.0263	1
Schistosoma mansoni	intermediate filament proteins	0.0018	0.0055	0.0046
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0059	0.0314	0.0305
Brugia malayi	hypothetical protein	0.0023	0.0092	0.0088
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0059	0.0314	0.0811
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0051	0.0263	0.0254
Echinococcus multilocularis	calpain family protein 1, d	0.003	0.0129	0.0334
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0147	0.0381
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0065	0.0168
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.0195	0.0733
Echinococcus multilocularis	neuropeptide receptor A26	0.0302	0.1824	0.4712
Echinococcus multilocularis	hypothetical protein	0.0013	0.0024	0.0061
Loa Loa (eye worm)	hypothetical protein	0.001	0.0009	0.0035
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0038	0.0185	0.0477
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0147	0.0381
Trypanosoma cruzi	kinesin, putative	0.0013	0.0024	0.0014
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0059	0.0314	0.0305
Echinococcus multilocularis	lamin dm0	0.0018	0.0055	0.0143
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.1614	1	1
Brugia malayi	hypothetical protein	0.0019	0.0065	0.0061
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.003	0.0131	0.034
Echinococcus multilocularis	survival motor neuron protein 1	0.0154	0.0906	0.2341
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0065	0.0168
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0013	0.0024	0.0014
Toxoplasma gondii	flavodoxin domain-containing protein	0.0029	0.0129	0.0119
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.0195	0.0185
Loa Loa (eye worm)	calpain family protein 1	0.003	0.0129	0.0488
Schistosoma mansoni	lamin	0.0018	0.0055	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0065	0.0246
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.1614	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.063	0.3872	0.3866
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0051	0.0263	0.0254
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.0583	0.0579
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.063	0.3872	1
Brugia malayi	jmjC domain containing protein	0.001	0.0009	0.0005
Echinococcus granulosus	dnaJ subfamily B	0.0402	0.2448	0.6322
Trypanosoma brucei	calpain-like protein, putative	0.0013	0.0024	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0053	0.02
Schistosoma mansoni	rab6-interacting	0.0019	0.0065	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0435	0.2655	1
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0382	0.0377
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.1614	1	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0013	0.0024	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0065	0.0246
Schistosoma mansoni	hypothetical protein	0.0032	0.0147	0.0138
Schistosoma mansoni	polycystin 1-related	0.0019	0.0065	0.0056
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0037	0.0173	0.0164
Schistosoma mansoni	lipoxygenase	0.0115	0.0661	0.0652
Echinococcus multilocularis	RUN	0.0019	0.0065	0.0168
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.003	0.0131	0.034
Brugia malayi	calpain 5	0.0013	0.0024	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0207	0.0781
Plasmodium vivax	hypothetical protein, conserved	0.0023	0.0087	0.0077
Schistosoma mansoni	calpain-7 (C02 family)	0.0013	0.0024	0.0014
Echinococcus multilocularis	jumonji domain containing 1A	0.001	0.0009	0.0024
Brugia malayi	calpain 7	0.0013	0.0024	0.0019
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0012	0.0019	0.005
Brugia malayi	hypothetical protein	0.0435	0.2655	0.2652
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0055	0.0208
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0013	0.0024	0.0014
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0033	0.0154	0.0397
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.063	0.3872	1
Echinococcus multilocularis	neuropeptide s receptor	0.0302	0.1824	0.4712
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.0583	0.0579
Schistosoma mansoni	dihydroorotate dehydrogenase	0.1614	1	1
Brugia malayi	Probable ClpP-like protease	0.0051	0.0263	0.0259
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1614	1	1
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0087	0.0164
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0147	0.0381
Brugia malayi	jmjC domain containing protein	0.004	0.0195	0.019
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.003	0.0131	0.0127
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0059	0.0314	0.0305
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0147	0.0143
Echinococcus granulosus	geminin	0.0111	0.0634	0.1638
Echinococcus multilocularis	methionine synthase reductase	0.0037	0.0173	0.0447
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0059	0.0314	0.0305
Entamoeba histolytica	type A flavoprotein, putative	0.0023	0.0087	0.0164
Loa Loa (eye worm)	runx1	0.0055	0.0286	0.1075
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.063	0.3872	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.003	0.0131	0.034
Loa Loa (eye worm)	intermediate filament protein	0.0018	0.0055	0.0208
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0023	0.0087	0.0077
Echinococcus multilocularis	cpg binding protein	0.003	0.0131	0.0339
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0065	0.0168
Treponema pallidum	flavodoxin	0.0023	0.0087	0.1513
Brugia malayi	FAD binding domain containing protein	0.0059	0.0314	0.031
Schistosoma mansoni	survival motor neuron protein	0.0031	0.0142	0.0132
Brugia malayi	jmjC domain containing protein	0.0038	0.0185	0.018
Brugia malayi	intermediate filament protein	0.0018	0.0055	0.0051
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.0195	0.0503
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.1614	1	1
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0023	0.0087	0.0077
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.1614	1	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.063	0.3872	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0042	0.0207	0.0198
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0051	0.0263	0.0209
Giardia lamblia	Nitric oxide synthase, inducible	0.0052	0.0272	0.5
Schistosoma mansoni	calpain-7 (C02 family)	0.0013	0.0024	0.0014
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0013	0.0024	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0009	0.0035

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.9 uM	Inhibition of human inducible nitric oxide synthase	ChEMBL.	10741561
IC50 (binding)	= 5.9 uM	Inhibition of human inducible nitric oxide synthase	ChEMBL.	10741561
IC50 (binding)	> 100 uM	Inhibition of human endothelial Nitric Oxide Synthase	ChEMBL.	10741561
IC50 (binding)	> 100 uM	Inhibition of human neuronal Nitric Oxide Synthase	ChEMBL.	10741561
IC50 (binding)	> 100 uM	Inhibition of human endothelial Nitric Oxide Synthase	ChEMBL.	10741561
IC50 (binding)	> 100 uM	Inhibition of human neuronal Nitric Oxide Synthase	ChEMBL.	10741561
Ratio (binding)	> 17	Ratio of Endothelial Nitric Oxide Synthase to Inducible nitric oxide synthase	ChEMBL.	10741561
Ratio (binding)	> 17	Ratio of binding to Neuronal nitric oxide synthase and Inducible nitric oxide synthase	ChEMBL.	10741561

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: CHEMBL155316

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 267245