TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.369 | Formula: C14H16N4S
H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCCCSc1n[nH]c2c(n1)nc1c2cc(cc1)C
InChi: 1S/C14H16N4S/c1-3-4-7-19-14-16-13-12(17-18-14)10-8-9(2)5-6-11(10)15-13/h5-6,8,17H,3-4,7H2,1-2H3
InChiKey: QIEWNSXRFAFDNF-UHFFFAOYSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0235	0.0543
Schistosoma mansoni	hypothetical protein	0.0108	0.1173	0.1173
Entamoeba histolytica	hypothetical protein	0.0024	0.0077	1
Schistosoma mansoni	hypothetical protein	0.0327	0.4038	0.4038
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0158	0.1824	0.386
Echinococcus multilocularis	Smad4	0.0026	0.0104	0.0104
Echinococcus granulosus	alkaline phosphatase	0.0185	0.2177	0.2177
Schistosoma mansoni	importin beta-1	0.0029	0.0149	0.0149
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0095	0.101	0.101
Loa Loa (eye worm)	hypothetical protein	0.0269	0.3273	0.6925
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0235	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0235	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0235	0.0235
Echinococcus granulosus	survival motor neuron protein 1	0.0269	0.3273	0.3273
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0417	0.0417
Brugia malayi	MH2 domain containing protein	0.0026	0.0104	0.0219
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0191	0.2263	0.2263
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0235	0.0235
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0235	1
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0185	0.2177	0.2177
Brugia malayi	MH1 domain containing protein	0.0026	0.0104	0.0219
Trichomonas vaginalis	CAMK family protein kinase	0.0191	0.2263	0.6421
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0235	0.0497
Schistosoma mansoni	smad	0.0026	0.0104	0.0104
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0235	0.0554
Brugia malayi	Kinase associated domain 1 family protein	0.0095	0.1	0.2116
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0104	0.0104
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0077	0.3255
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0048	0.3208
Schistosoma mansoni	microtubule-associated protein tau	0.0784	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.101	0.101
Plasmodium falciparum	importin beta, putative	0.0029	0.0149	1
Echinococcus multilocularis	X box binding protein 1	0.0327	0.4038	0.4038
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0104	0.0104
Loa Loa (eye worm)	Smad1	0.0026	0.0104	0.0219
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0149	0.0149
Schistosoma mansoni	hypothetical protein	0.005	0.0417	0.0417
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0343	0.4243	1
Echinococcus multilocularis	hypothetical protein	0.0095	0.1	0.1
Brugia malayi	MH2 domain containing protein	0.038	0.4726	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0417	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0149	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1824	0.386
Schistosoma mansoni	Smad4	0.0026	0.0104	0.0104
Brugia malayi	Smad1	0.0026	0.0104	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0235	0.0497
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0235	0.5
Brugia malayi	hypothetical protein	0.0269	0.3273	0.6925
Echinococcus multilocularis	smad	0.0026	0.0104	0.0104
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0158	0.1824	0.386
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0048	0.2034
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0185	0.2177	0.2177
Loa Loa (eye worm)	MH2 domain-containing protein	0.0026	0.0104	0.0219
Schistosoma mansoni	hypothetical protein	0.0096	0.1019	0.1019
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0235	0.0497
Echinococcus granulosus	X box binding protein 1	0.0327	0.4038	0.4038
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0286	0.3497	0.74
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0235	0.0235
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.101	0.101
Echinococcus granulosus	smad	0.0026	0.0104	0.0104
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0235	0.0543
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0095	0.101	0.101
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0417	0.0417
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0048	0.0048
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0158	0.1824	0.386
Brugia malayi	MH2 domain containing protein	0.0026	0.0104	0.0219
Echinococcus multilocularis	GPCR, family 2	0.005	0.0417	0.0417
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0191	0.2263	0.2263
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.005	0.0417	0.0882
Trichomonas vaginalis	CAMK family protein kinase	0.0191	0.2263	0.6421
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0235	0.0543
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0026	0.0104	0.0104
Onchocerca volvulus		0.0055	0.0481	1
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0104	0.0104
Echinococcus multilocularis	survival motor neuron protein 1	0.0269	0.3273	0.3273
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0481	0.0481
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0048	0.2034
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0026	0.0104	0.0104
Schistosoma mansoni	ran	0.0022	0.0048	0.0048
Echinococcus granulosus	GPCR family 2	0.005	0.0417	0.0417
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0235	0.0554
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0077	0.0083
Schistosoma mansoni	serine/threonine kinase	0.0286	0.3497	0.3497
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0149	0.6338
Brugia malayi	beta-lactamase family protein	0.0036	0.0235	0.0497
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0235	0.0554
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0149	0.6338
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0026	0.0104	0.0104
Brugia malayi	beta-lactamase family protein	0.0036	0.0235	0.0497
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0048	0.2034
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.101	0.101
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0048	0.5
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0048	0.2034
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0235	0.0554
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0095	0.101	0.101
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0095	0.101	0.101
Toxoplasma gondii	ABC1 family protein	0.0036	0.0235	1
Brugia malayi	Protein kinase domain containing protein	0.0286	0.3497	0.74
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0077	0.3255
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0235	0.0554
Brugia malayi	beta-lactamase	0.0036	0.0235	0.0497
Echinococcus granulosus	calcium activated potassium channel	0.0095	0.101	0.101
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0026	0.0104	0.0104
Trichomonas vaginalis	CAMK family protein kinase	0.0286	0.3497	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0235	0.0497
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0343	0.4243	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0235	0.0554
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0235	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1173	0.2482
Echinococcus multilocularis	snurportin 1	0.0313	0.3858	0.3858
Leishmania major	GTP-binding protein, putative	0.0022	0.0048	0.2034
Loa Loa (eye worm)	MH1 domain-containing protein	0.0026	0.0104	0.0219
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0235	0.0554
Schistosoma mansoni	hypothetical protein	0.0095	0.1	0.1
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0235	0.0554
Schistosoma mansoni	hypothetical protein	0.005	0.0417	0.0417
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0417	0.0417
Schistosoma mansoni	hypothetical protein	0.005	0.0417	0.0417
Echinococcus granulosus	snurportin 1	0.0313	0.3858	0.3858
Schistosoma mansoni	hypothetical protein	0.0095	0.1	0.1
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0185	0.2177	0.2177
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0149	0.6338
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0235	0.0497
Echinococcus multilocularis	microtubule associated protein 2	0.0784	1	1
Brugia malayi	Importin beta-1 subunit	0.0029	0.0149	0.0315
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.2765	0.6516
Loa Loa (eye worm)	hypothetical protein	0.0095	0.1	0.2116
Leishmania major	hypothetical protein, conserved	0.0036	0.0235	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0417	0.0882
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0185	0.2177	0.2177
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0235	1
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0417	0.0882
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0235	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0235	0.0497
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0077	0.0083
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0149	0.0149
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0077	0.0083
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0048	0.0048
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0048	0.0101
Schistosoma mansoni	hypothetical protein	0.0055	0.0481	0.0481
Echinococcus multilocularis	alkaline phosphatase	0.0185	0.2177	0.2177
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0149	0.6338
Schistosoma mansoni	ran	0.0022	0.0048	0.0048
Trichomonas vaginalis	esterase, putative	0.0036	0.0235	0.0543
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0235	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0235	0.0497
Echinococcus granulosus	Smad4	0.0026	0.0104	0.0104
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.101	0.101
Echinococcus granulosus	mothers against decapentaplegic 5	0.0026	0.0104	0.0104
Brugia malayi	latrophilin 2 splice variant baaae	0.0108	0.1173	0.2482
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0185	0.2177	0.2177
Schistosoma mansoni	hypothetical protein	0.0313	0.3858	0.3858
Brugia malayi	RNA, U transporter 1	0.0083	0.0856	0.1811
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0235	0.0543
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0481	0.1018
Echinococcus multilocularis	calcium activated potassium channel	0.0095	0.101	0.101
Schistosoma mansoni	alkaline phosphatase	0.0185	0.2177	0.2177
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0313	0.3858	0.8163
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.101	0.101
Brugia malayi	MH1 domain containing protein	0.0026	0.0104	0.0219
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0185	0.2177	0.2177
Loa Loa (eye worm)	MH2 domain-containing protein	0.038	0.4726	1
Schistosoma mansoni	alkaline phosphatase	0.0185	0.2177	0.2177
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0048	0.2034
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0048	0.0101
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0235	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0235	0.0497
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0235	0.0554
Schistosoma mansoni	hypothetical protein	0.005	0.0417	0.0417
Loa Loa (eye worm)	transcription factor SMAD2	0.038	0.4726	1

Activities

No activities found for this compound.

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

Search by Saint Jude

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 776871