TDR Targets

Basic information

Technical information

TDR Targets ID: 1620588
Name: 2-(2-bromo-4-methylphenoxy)-N'-(1-{4-nitro-2- thienyl}ethylidene)acetohydrazide
MW: 412.258 | Formula: C15H14BrN3O4S
H donors: 1 H acceptors: 3 LogP: 3.99 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(COc1ccc(cc1Br)C)N/N=C(/c1scc(c1)[N+](=O)[O-])\C
InChi: 1S/C15H14BrN3O4S/c1-9-3-4-13(12(16)5-9)23-7-15(20)18-17-10(2)14-6-11(8-24-14)19(21)22/h3-6,8H,7H2,1-2H3,(H,18,20)/b17-10+
InChiKey: AIOUATVQMSPUKY-LICLKQGHSA-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

MLS000700664
SMR000225698

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	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	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	Muscleblind-like 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 granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
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 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	hypothetical protein, conserved	0.0293	0.2686	0.5
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0293	0.2686	0.1411
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0824	0.8345	0.5
Leishmania major	hypothetical protein, conserved	0.0293	0.2686	0.5
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0293	0.2686	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0293	0.2686	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1098	0.1316
Schistosoma mansoni	hypothetical protein	0.0205	0.1743	0.2064
Loa Loa (eye worm)	brahma associated protein	0.0824	0.8345	1
Brugia malayi	hypothetical protein	0.0286	0.2605	0.3122
Loa Loa (eye worm)	hypothetical protein	0.0051	0.01	0.012
Onchocerca volvulus		0.0293	0.2686	0.3136
Schistosoma mansoni	brg-1 associated factor	0.0824	0.8345	0.9882
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0182	0.0216
Echinococcus granulosus	tumor protein p63	0.0345	0.3244	0.2528
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0824	0.8345	1
Loa Loa (eye worm)	hypothetical protein	0.0293	0.2686	0.3219
Schistosoma mansoni	fusion	0.0293	0.2686	0.3181
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0293	0.2686	0.3219
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0203	0.0243
Trypanosoma brucei	hypothetical protein, conserved	0.0293	0.2686	0.5
Onchocerca volvulus		0.0293	0.2686	0.3136
Loa Loa (eye worm)	hypothetical protein	0.018	0.1484	0.1779
Chlamydia trachomatis	SWIB complex protein	0.0824	0.8345	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.0824	0.8345	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.8445	0.8174
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0293	0.2686	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0824	0.8345	0.8057
Echinococcus multilocularis	SWI:SNF matrix associated	0.0824	0.8345	0.8057
Trypanosoma cruzi	hypothetical protein, conserved	0.0293	0.2686	0.5
Echinococcus multilocularis	ring and YY1 binding protein	0.0293	0.2686	0.1411
Brugia malayi	brahma associated protein 60 kDa	0.0824	0.8345	1
Leishmania major	hypothetical protein, conserved	0.0293	0.2686	0.5
Schistosoma mansoni	hypothetical protein	0.0824	0.8345	0.9882
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2605	0.1317
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0293	0.2686	0.1411
Schistosoma mansoni	TRABID protein (C64 family)	0.0293	0.2686	0.3181
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0824	0.8345	1
Echinococcus granulosus	geminin	0.0205	0.1743	0.0371
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0824	0.8345	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0203	0.0243
Echinococcus granulosus	ring and YY1 binding protein	0.0293	0.2686	0.1727
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0293	0.2686	0.5
Schistosoma mansoni	hypothetical protein	0.0293	0.2686	0.3181
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0293	0.2686	0.1727
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2605	0.1611
Schistosoma mansoni	zinc finger protein	0.0293	0.2686	0.3181
Echinococcus multilocularis	tumor protein p63	0.0345	0.3244	0.2066
Brugia malayi	YY1-associated factor 2	0.0293	0.2686	0.3219
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1098	0.1316
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.01	0.0119
Echinococcus multilocularis	zinc finger protein Ran binding	0.0293	0.2686	0.1411
Trypanosoma cruzi	hypothetical protein, conserved	0.0293	0.2686	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0293	0.2686	0.3219
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0182	0.0218
Plasmodium vivax	hypothetical protein, conserved	0.0824	0.8345	0.5
Leishmania major	hypothetical protein, conserved	0.0293	0.2686	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0293	0.2686	0.3219
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0293	0.2686	0.5
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0293	0.2686	0.5
Onchocerca volvulus		0.0058	0.0182	0.0099
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0824	0.8345	1
Loa Loa (eye worm)	hypothetical protein	0.0293	0.2686	0.3219
Onchocerca volvulus		0.0293	0.2686	0.3136
Trypanosoma cruzi	hypothetical protein, conserved	0.0293	0.2686	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0824	0.8345	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0824	0.8345	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0203	0.0243
Echinococcus multilocularis	geminin	0.0205	0.1743	0.0303
Brugia malayi	brahma associated protein 60 kDa	0.0824	0.8345	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0824	0.8345	0.8057
Echinococcus granulosus	zinc finger protein Ran binding	0.0293	0.2686	0.1727
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0203	0.0243
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.8445	1
Loa Loa (eye worm)	hypothetical protein	0.0293	0.2686	0.3219
Trypanosoma cruzi	WLM domain containing protein, putative	0.0293	0.2686	0.5
Leishmania major	hypothetical protein, conserved	0.0293	0.2686	0.5
Onchocerca volvulus		0.0293	0.2686	0.3136
Schistosoma mansoni	hypothetical protein	0.0058	0.0182	0.0216
Echinococcus granulosus	Zinc finger RanBP2 type	0.0293	0.2686	0.1727
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0293	0.2686	0.3136
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.8445	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1484	0.1779
Brugia malayi	MH2 domain containing protein	0.0144	0.1098	0.1316
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0293	0.2686	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0293	0.2686	0.3219
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0824	0.8345	0.9857
Schistosoma mansoni	hypothetical protein	0.0824	0.8345	0.9882
Chlamydia trachomatis	DNA topoisomerase I	0.0824	0.8345	0.5
Loa Loa (eye worm)	hypothetical protein	0.0293	0.2686	0.3219
Loa Loa (eye worm)	hypothetical protein	0.0293	0.2686	0.3219
Brugia malayi	Muscleblind-like protein	0.018	0.1484	0.1779
Echinococcus granulosus	SWI:SNF matrix associated	0.0824	0.8345	0.9857
Onchocerca volvulus		0.0824	0.8345	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0824	0.8345	0.8057
Schistosoma mansoni	hypothetical protein	0.0824	0.8345	0.9882
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0293	0.2686	0.5
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2605	0.3122
Leishmania major	hypothetical protein, conserved	0.0293	0.2686	0.5
Schistosoma mansoni	RNA binding protein	0.0293	0.2686	0.3181
Schistosoma mansoni	hypothetical protein	0.0205	0.1743	0.2064

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.632 uM	PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272]	ChEMBL.	No reference
Potency (functional)	1.8526 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
Potency (binding)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	8.1995 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 (functional)	9.2 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	12.99 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (binding)	15.8489 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23
Giardia lamblia

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: CHEMBL1965068

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 1620588