TDR Targets

Basic information

Technical information

TDR Targets ID: 1376230
Name: 4-[2-(5-bromofuran-2-carbonyl)hydrazinyl]-N-( 4-ethoxyphenyl)-4-oxobutanamide
MW: 424.246 | Formula: C17H18BrN3O5
H donors: 3 H acceptors: 3 LogP: 2.21 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)CCC(=O)NNC(=O)c1ccc(o1)Br
InChi: 1S/C17H18BrN3O5/c1-2-25-12-5-3-11(4-6-12)19-15(22)9-10-16(23)20-21-17(24)13-7-8-14(18)26-13/h3-8H,2,9-10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChiKey: LDKLGFZFKGQUCR-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

4-[N'-(5-bromofuran-2-carbonyl)hydrazino]-N-(4-ethoxyphenyl)-4-oxo-butanamide
4-[N'-[(5-bromo-2-furyl)-oxomethyl]hydrazino]-N-(4-ethoxyphenyl)-4-oxobutanamide
4-[N'-(5-bromofuran-2-carbonyl)hydrazino]-N-(4-ethoxyphenyl)-4-keto-butyramide
4-[2-(5-bromofuran-2-yl)carbonylhydrazinyl]-N-(4-ethoxyphenyl)-4-oxo-butanamide
ARONIS005711
STK126217
BAS 03219297

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0067	0.0038
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.8919	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0353	0.0533
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.1099	0.1203
Echinococcus granulosus	cpg binding protein	0.0031	0.0734	0.0707
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0534	0.1101
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0029	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0534	0.083
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.1099	0.1203
Leishmania major	macrophage migration inhibitory factor-like protein	0.0164	0.4658	0.5207
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0029	0.002
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.4126	0.4608
Onchocerca volvulus		0.0024	0.0534	0.0726
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0534	0.083
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0029	0.0063
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0738	0.2688
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0353	0.0533
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0324	0.0702
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0534	0.109
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0214	0.6109	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.2665	0.2966
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0534	0.1101
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Brugia malayi	Muscleblind-like protein	0.0153	0.432	0.7058
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.1099	0.1203
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0738	0.0711
Schistosoma mansoni	cpg binding protein	0.0029	0.0685	0.2487
Toxoplasma gondii	hypothetical protein	0.005	0.1287	0.2717
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0324	0.0702
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0353	0.0766
Trichomonas vaginalis	conserved hypothetical protein	0.0164	0.4658	0.6671
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0164	0.4658	0.7614
Onchocerca volvulus		0.0031	0.0738	0.102
Brugia malayi	Pre-SET motif family protein	0.0214	0.6109	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0534	0.1101
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0534	0.083
Schistosoma mansoni	cpg binding protein	0.0031	0.0734	0.2674
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0534	0.1157
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0164	0.4658	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0097	0.2665	0.2644
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0097	0.2665	0.4336
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0685	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0153	0.432	0.7058
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0029	0.0063
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0164	0.4658	0.6671
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0029	0.0063
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.432	0.4304
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0534	0.083
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0067	0.0038
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.007	0.1884	0.305
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0097	0.2665	0.2644
Brugia malayi	serine/threonine-protein kinase plk-2	0.0097	0.2665	0.4336
Trypanosoma brucei	polo-like protein kinase	0.0097	0.2665	0.2966
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.4126	0.4608
Leishmania major	macrophage migration inhibitory factor-like protein	0.0164	0.4658	0.5207
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0164	0.4658	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0738	0.0711
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0534	0.1101
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0534	0.0568
Schistosoma mansoni	cpg binding protein	0.0031	0.0734	0.2674
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0534	1
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.007	0.1884	0.305
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.2665	1
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.1228	0.1743
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.131	0.4857
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0117	0.0144
Echinococcus multilocularis	cpg binding protein	0.0031	0.0734	0.0707
Loa Loa (eye worm)	histone methyltransferase	0.001	0.012	0.015
Brugia malayi	Bm-MIF-1, identical	0.0164	0.4658	0.7614
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0353	0.0533
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0324	0.0702
Brugia malayi	Pre-SET motif family protein	0.0031	0.0738	0.1165
Echinococcus multilocularis	tumor protein p63	0.0346	1	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0029	0.0063
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1492	0.316
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0353	0.0533
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0534	0.1101
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.1688	0.6292
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.8919	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.1099	0.1203
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0738	0.2688
Echinococcus multilocularis	muscleblind protein	0.0153	0.432	0.4304
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.1379	0.1518
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0685	0.1078
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0686	0.0659
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0534	0.109
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0029	0.0063
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0353	0.0707
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.4126	0.4608
Plasmodium falciparum	macrophage migration inhibitory factor	0.0164	0.4658	1
Onchocerca volvulus		0.0029	0.0685	0.0944
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.012	0.0091
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0534	0.1101
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0534	0.109
Mycobacterium ulcerans	hypothetical protein	0.0163	0.4612	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0029	0.0063
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0534	0.1157
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0097	0.2665	0.3795
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0534	0.1101
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0534	1
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0164	0.4658	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0067	0.0145
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0534	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0353	0.0533
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0029	0.0063
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Echinococcus granulosus	muscleblind protein	0.0153	0.432	0.4304
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0353	0.07
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0353	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.6975	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0029	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0051	0.131	0.2106
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0029	0.0063
Giardia lamblia	Macrophage migration inhibitory factor	0.0164	0.4658	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0029	0.002
Schistosoma mansoni	kinase	0.0049	0.1266	0.4691
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0738	0.1531
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.4612	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0534	0.083
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0067	0.0038
Trichomonas vaginalis	CAMK family protein kinase	0.0097	0.2665	0.3808
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0738	0.0711
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0738	0.2688
Trypanosoma cruzi	polo-like protein kinase, putative	0.0097	0.2665	0.2966
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0534	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0153	0.432	0.7058
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0029	0.0063
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.012	0.0091
Leishmania major	mitochondrial DNA polymerase beta	0.0309	0.8919	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0534	0.083
Plasmodium vivax	SET domain protein, putative	0.0031	0.0738	0.1531
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0097	0.2665	0.5695
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0534	0.1101
Trichomonas vaginalis	CAMK family protein kinase	0.0048	0.1228	0.1743
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0353	0.07
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0738	0.2688
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0097	0.2665	0.2966
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	0.8919	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0067	0.0038
Onchocerca volvulus		0.0051	0.131	0.1843
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0324	0.0702
Onchocerca volvulus		0.0243	0.6975	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0738	0.1165

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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: CHEMBL1508702

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 1376230