TDR Targets

Basic information

Technical information

TDR Targets ID: 1397533
Name: ZINC00155767
MW: 311.401 | Formula: C17H17N3OS
H donors: 0 H acceptors: 3 LogP: 3.55 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(N(C(=O)c1ccc2c(c1)nsn2)Cc1ccccc1)C
InChi: 1S/C17H17N3OS/c1-12(2)20(11-13-6-4-3-5-7-13)17(21)14-8-9-15-16(10-14)19-22-18-15/h3-10,12H,11H2,1-2H3
InChiKey: ZGLHPODXMONVOJ-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

HTS 08830
MLS000860651
N-benzyl-N-isopropyl-2,1,3-benzothiadiazole-5-carboxamide
SMR000458735
Maybridge2_000303
IDI1_001343
SR-01000637613-1

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tumor protein p63	0.033	0.3194	0.6436
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0074	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0006	0.0012
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0438	0.0882
Schistosoma mansoni	hypothetical protein	0.0205	0.1907	0.4659
Echinococcus multilocularis	lamin dm0	0.0054	0.0358	0.0722
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.1045	0.2106
Brugia malayi	intermediate filament protein	0.0054	0.0358	0.0722
Mycobacterium tuberculosis	Hypothetical protein	0.0418	0.4093	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0006	0.0015
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0006	1
Schistosoma mansoni	lamin	0.0054	0.0358	0.0875
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0006	0.0015
Echinococcus granulosus	lamin dm0	0.0054	0.0358	0.0722
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0358	0.0722
Brugia malayi	Thioredoxin family protein	0.0418	0.4093	0.8247
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0315	0.077
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Trichomonas vaginalis	peptide N-glycanase, putative	0.0418	0.4093	1
Mycobacterium tuberculosis	Long conserved protein	0.0418	0.4093	1
Echinococcus multilocularis	lamin	0.0054	0.0358	0.0722
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0006	1
Trypanosoma brucei	unspecified product	0.0019	0.0006	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0006	0.0012
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0103	0.086	0.1733
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0418	0.4093	1
Schistosoma mansoni	hypothetical protein	0.0103	0.086	0.2101
Schistosoma mansoni	lamin	0.0054	0.0358	0.0875
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0315	0.0635
Loa Loa (eye worm)	hypothetical protein	0.018	0.1658	0.3342
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0074	0.0149
Echinococcus granulosus	intermediate filament protein	0.0054	0.0358	0.0722
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0006	0.0012
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0438	0.1069
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0006	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0006	0.0015
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0006	0.0015
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0006	0.0015
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0006	0.0138
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0006	0.0012
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0006	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0006	1
Mycobacterium ulcerans	hypothetical protein	0.0418	0.4093	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0006	1
Echinococcus granulosus	muscleblind protein	0.018	0.1658	0.3342
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0006	0.0138
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0006	0.0015
Echinococcus granulosus	tumor protein p63	0.033	0.3194	0.6436
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0315	0.0635
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0006	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0074	0.0149
Schistosoma mansoni	hypothetical protein	0.0418	0.4093	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0315	0.077
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0438	0.1069
Echinococcus granulosus	Transglutaminase	0.0418	0.4093	0.8247
Brugia malayi	Muscleblind-like protein	0.018	0.1658	0.3342
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0358	0.0722
Echinococcus granulosus	dna polymerase eta	0.0019	0.0006	0.0012
Mycobacterium leprae	Conserved hypothetical protein	0.0418	0.4093	0.5
Echinococcus multilocularis	musashi	0.0054	0.0358	0.0722
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0438	1
Echinococcus multilocularis	Transglutaminase	0.0418	0.4093	0.8247
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0358	0.0875
Echinococcus multilocularis	survival motor neuron protein 1	0.0503	0.4963	1
Loa Loa (eye worm)	hypothetical protein	0.0503	0.4963	1
Echinococcus granulosus	lamin	0.0054	0.0358	0.0722
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0006	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0348	0.0701
Leishmania major	DNA polymerase eta, putative	0.0019	0.0006	0.0138
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0006	0.0015
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0006	0.0012
Giardia lamblia	Transglutaminase/protease, putative	0.0418	0.4093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0006	1
Echinococcus granulosus	survival motor neuron protein 1	0.0503	0.4963	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0315	0.0635
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0006	0.0012
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0006	0.0012
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0315	0.0635
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0315	0.077
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0438	1
Schistosoma mansoni	survival motor neuron protein	0.0103	0.086	0.2101
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0064	0.0129
Mycobacterium ulcerans	transglutaminase family protein	0.0418	0.4093	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0304	0.0613
Onchocerca volvulus		0.0054	0.0358	0.0056
Loa Loa (eye worm)	hypothetical protein	0.018	0.1658	0.3342
Mycobacterium tuberculosis	Conserved protein	0.0418	0.4093	1
Giardia lamblia	Hypothetical protein	0.0418	0.4093	1
Echinococcus multilocularis	muscleblind protein	0.018	0.1658	0.3342
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0438	0.1069
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Onchocerca volvulus		0.0103	0.086	0.0573
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.1045	0.2106
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0418	0.4093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Echinococcus multilocularis	geminin	0.0205	0.1907	0.3843
Mycobacterium ulcerans	hypothetical protein	0.0418	0.4093	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0103	0.0208
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0006	0.0015
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0006	0.0015
Schistosoma mansoni	hypothetical protein	0.0205	0.1907	0.4659
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0006	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0358	0.0722
Onchocerca volvulus		0.0054	0.0358	0.0056
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0418	0.4093	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0006	0.0015
Echinococcus granulosus	geminin	0.0205	0.1907	0.3843
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0006	0.0012
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0438	0.0882
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1658	0.3342
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0304	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0064	0.0129
Mycobacterium leprae	Conserved hypothetical protein	0.0418	0.4093	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0438	0.1069
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0006	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0006	0.0012
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0438	0.1069
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0103	0.0208
Brugia malayi	hypothetical protein	0.0503	0.4963	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0315	0.0635
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0315	0.0635
Brugia malayi	MH2 domain containing protein	0.0121	0.1045	0.2106
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0358	0.0722
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0438	0.1069

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.4611 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	12.5893 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1518427

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 1397533