TDR Targets

Basic information

Technical information

TDR Targets ID: 650741
Name: ST5054229
MW: 358.845 | Formula: C17H15ClN4OS
H donors: 2 H acceptors: 2 LogP: 3.4 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)/C(=N/NC(=O)c1n[nH]c(c1)c1ccc(s1)C)/C
InChi: 1S/C17H15ClN4OS/c1-10-3-8-16(24-10)14-9-15(21-20-14)17(23)22-19-11(2)12-4-6-13(18)7-5-12/h3-9H,1-2H3,(H,20,21)(H,22,23)/b19-11-
InChiKey: PXKRJHFWBUDQTJ-ODLFYWEKSA-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

ZINC00946639

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
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.05	0.1097
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0123	0.3916	0.5
Leishmania major	eukaryotic initiation factor 4a, putative	0.0123	0.3916	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1127	0.1127
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0123	0.3916	1
Brugia malayi	Fli-1 protein	0.0222	0.7857	0.7857
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0561	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0123	0.3916	0.3916
Plasmodium falciparum	glutathione reductase	0.0038	0.0567	0.1271
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.1696	0.2115
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.05	0.1097
Treponema pallidum	ATP-dependent RNA helicase	0.0123	0.3916	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0561	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0561	0.0561
Schistosoma mansoni	gabp alpha	0.0073	0.1952	0.1555
Schistosoma mansoni	alpha-glucosidase	0.0142	0.4668	0.4405
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0567	0.1271
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0561	0.0064
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.05	0.1097
Brugia malayi	Ets-domain containing protein	0.0073	0.1952	0.1952
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0561	0.0561
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0123	0.3916	1
Brugia malayi	Thioredoxin reductase	0.0038	0.0567	0.0567
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0123	0.3916	0.3595
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0567	0.1271
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0243	0.8693	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0097	0.2893	0.2868
Loa Loa (eye worm)	glutaminase	0.0276	1	1
Mycobacterium ulcerans	glutaminase	0.0276	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0097	0.2893	0.2868
Echinococcus multilocularis	geminin	0.0179	0.6154	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0561	0.0108
Brugia malayi	beta-lactamase family protein	0.0038	0.0561	0.0561
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.05	0.05
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1526	0.1023
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0561	0.0561
Trypanosoma brucei	glucosidase, putative	0.0037	0.05	0.1097
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0039	0.0587	0.0154
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0561	0.1256
Schistosoma mansoni	alpha-glucosidase	0.0142	0.4668	0.4405
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0123	0.3916	0.3615
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0561	0.1256
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.1696	0.4214
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0123	0.3916	0.6041
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1526	0.1108
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0123	0.3916	0.3595
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0079	0.0079
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0097	0.2893	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0561	0.0561
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.5577	0.8979
Loa Loa (eye worm)	fli-1 protein	0.0222	0.7857	0.7857
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0087	0.2508	0.2394
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1127	0.1127
Brugia malayi	beta-lactamase	0.0038	0.0561	0.0561
Mycobacterium tuberculosis	Probable dehydrogenase	0.0087	0.2508	0.2394
Brugia malayi	beta-lactamase family protein	0.0038	0.0561	0.0561
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.1696	0.4214
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0123	0.3916	0.6041
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.1696	0.1286
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.05	0.05
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0123	0.3916	0.4125
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.047	0.047
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.1696	0.2115
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0123	0.3916	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.1696	0.1696
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.1696	0.3501
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0123	0.3916	0.3615
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0561	0.0064
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.5577	0.8979
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1526	0.1187
Trypanosoma brucei	trypanothione reductase	0.0038	0.0567	0.1271
Brugia malayi	Ets-domain containing protein	0.0073	0.1952	0.1952
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1526	0.3773
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0561	0.0561
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0561	0.0108
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0561	0.0064
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0567	0.1271
Schistosoma mansoni	alpha glucosidase	0.0037	0.05	0.0031
Leishmania major	trypanothione reductase	0.0038	0.0567	0.1271
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0097	0.2893	0.2868
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.05	0.1097
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.5577	0.5577
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0087	0.2508	0.8347
Echinococcus multilocularis	GA binding protein alpha chain	0.0073	0.1952	0.2569
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0567	0.0007
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.5577	0.5577
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0561	0.0064
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.5577	0.8979
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1127	0.1127
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0087	0.2508	0.2394
Toxoplasma gondii	ABC1 family protein	0.0038	0.0561	0.1256
Leishmania major	hypothetical protein, conserved	0.0038	0.0561	0.1256
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0567	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1127	0.1127
Schistosoma mansoni	ets-related	0.0222	0.7857	0.7751
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0123	0.3916	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1526	0.3773
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1526	0.1023
Trichomonas vaginalis	glutaminase, putative	0.0276	1	1
Brugia malayi	eukaryotic initiation factor 4A	0.0123	0.3916	0.3916
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0561	0.0561
Mycobacterium tuberculosis	Probable reductase	0.0087	0.2508	0.2394
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0561	0.0064
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0123	0.3916	0.6041
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1532	0.1532
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1526	0.1816
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0561	0.0561
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1526	0.1023
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.1696	0.1696
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1526	0.1816
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0123	0.3916	1
Schistosoma mansoni	hypothetical protein	0.0179	0.6154	0.5965
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0087	0.2508	0.2394
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0561	0.0095
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.1696	0.4214
Plasmodium vivax	RNA helicase-1, putative	0.0123	0.3916	1
Brugia malayi	glutathione reductase	0.0038	0.0567	0.0567
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0567	0.0567
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0561	0.0095
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0087	0.2508	0.2394
Brugia malayi	hypothetical protein	0.0026	0.0079	0.0079
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0123	0.3916	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0123	0.3916	0.3595
Echinococcus granulosus	geminin	0.0179	0.6154	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0561	0.0561
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0073	0.1952	0.1952
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.1696	0.4214
Trichomonas vaginalis	esterase, putative	0.0038	0.0561	0.0064
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0567	0.0567
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0582	0.0146
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0582	0.0146
Schistosoma mansoni	hypothetical protein	0.0179	0.6154	0.5965
Loa Loa (eye worm)	hypothetical protein	0.0036	0.047	0.047
Echinococcus granulosus	GA binding protein alpha chain	0.0073	0.1952	0.2569
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0123	0.3916	0.6041
Loa Loa (eye worm)	glutaminase 2	0.0276	1	1
Onchocerca volvulus		0.0095	0.2826	0.6752
Leishmania major	eukaryotic initiation factor 4a, putative	0.0123	0.3916	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0039	0.0587	0.0154
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0567	0.1271
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1526	0.1108
Schistosoma mansoni	glutaminase	0.0276	1	1
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0123	0.3916	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0561	0.0561

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 650741