TDR Targets

Basic information

Technical information

TDR Targets ID: 621557
Name: 3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)meth ylideneamino]propanamide
MW: 310.326 | Formula: C17H15FN4O
H donors: 1 H acceptors: 2 LogP: 2.35 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CCn1cnc2c1cccc2)N/N=C/c1ccc(cc1)F
InChi: 1S/C17H15FN4O/c18-14-7-5-13(6-8-14)11-20-21-17(23)9-10-22-12-19-15-3-1-2-4-16(15)22/h1-8,11-12H,9-10H2,(H,21,23)/b20-11+
InChiKey: LADPYTUIANZMAM-RGVLZGJSSA-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

3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyleneamino]propanamide
3-(1-benzimidazolyl)-N-[(4-fluorophenyl)methyleneamino]propanamide
3-(benzimidazol-1-yl)-N-[(4-fluorobenzylidene)amino]propionamide
ST5053984

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
Loa Loa (eye worm)	MH2 domain-containing protein	0.0257	0.3331	0.7561
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.0331
Echinococcus granulosus	lamin dm0	0.0084	0.0831	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0204	0.0463
Brugia malayi	hypothetical protein	0.0078	0.0741	0.1681
Schistosoma mansoni	hypothetical protein	0.0048	0.0318	0.0457
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0153	0.1828	0.415
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0146	0.0488
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.0692	0.1332
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0146	1
Onchocerca volvulus		0.0105	0.1138	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0741	0.1681
Loa Loa (eye worm)	intermediate filament protein	0.0084	0.0831	0.1887
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0146	0.0488
Brugia malayi	RNA recognition motif domain containing protein	0.0331	0.4406	1
Schistosoma mansoni	lamin	0.0084	0.0831	0.1656
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0146	0.0331
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0318	0.0198
Schistosoma mansoni	cellular tumor antigen P53	0.0105	0.1138	0.2372
Brugia malayi	beta-lactamase	0.0036	0.0146	0.0331
Echinococcus multilocularis	tar DNA binding protein	0.0331	0.4406	0.4337
Onchocerca volvulus		0.0036	0.0146	0.1279
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0146	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0831	0.1887
Onchocerca volvulus		0.0084	0.0831	0.7305
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0146	0.5
Leishmania major	hypothetical protein, conserved	0.0036	0.0146	0.1966
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0146	0.0055
Brugia malayi	Intermediate filament tail domain containing protein	0.0084	0.0831	0.1887
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0741	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0146	0.0488
Schistosoma mansoni	hypothetical protein	0.0074	0.0692	0.1332
Onchocerca volvulus		0.0036	0.0146	0.1279
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1129	0.2563
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0146	1
Schistosoma mansoni	hypothetical protein	0.0105	0.1129	0.2351
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0146	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0146	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0318	0.0721
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0045	0.0268	0.0609
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.0204	0.0083
Plasmodium falciparum	ataxin-2 like protein, putative	0.0078	0.0741	0.5
Brugia malayi	intermediate filament protein	0.0084	0.0831	0.1887
Brugia malayi	beta-lactamase family protein	0.0036	0.0146	0.0331
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.4406	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0146	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0078	0.0741	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0318	0.0198
Schistosoma mansoni	lamin	0.0084	0.0831	0.1656
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1138	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.0331
Echinococcus multilocularis	musashi	0.0084	0.0831	0.0718
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0318	0.0721
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0331	0.4406	1
Brugia malayi	RNA binding protein	0.0331	0.4406	1
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0318	0.0721
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0318	0.0198
Schistosoma mansoni	hypothetical protein	0.0048	0.0318	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0809	0.1837
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0741	1
Entamoeba histolytica	hypothetical protein	0.0074	0.0692	1
Brugia malayi	hypothetical protein	0.005	0.0343	0.0778
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0146	0.0024
Echinococcus multilocularis	lamin	0.0084	0.0831	0.0718
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.4406	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0105	0.1129	0.2563
Echinococcus granulosus	lamin	0.0084	0.0831	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.0331
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.4406	1
Onchocerca volvulus		0.0084	0.0831	0.7305
Entamoeba histolytica	hypothetical protein	0.0074	0.0692	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0146	0.0488
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0146	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1828	0.415
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0153	0.1828	0.415
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0182	0.0412
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.4406	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.0692	0.0578
Onchocerca volvulus		0.0036	0.0146	0.1279
Mycobacterium ulcerans	lipase LipD	0.0036	0.0146	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0146	0.0488
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0146	1
Loa Loa (eye worm)	TAR-binding protein	0.0331	0.4406	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0078	0.0741	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0146	1
Echinococcus multilocularis	tumor protein p63	0.0719	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0146	0.0055
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0146	0.0488
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0153	0.1828	0.415
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.0331
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.0692	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.0331
Brugia malayi	hypothetical protein	0.0074	0.0692	0.1571
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0182	0.0412
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0146	0.0024
Loa Loa (eye worm)	transcription factor SMAD2	0.0257	0.3331	0.7561
Brugia malayi	TAR-binding protein	0.0331	0.4406	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0146	0.0488
Echinococcus multilocularis	lamin dm0	0.0084	0.0831	0.0718
Brugia malayi	beta-lactamase family protein	0.0036	0.0146	0.0331
Trypanosoma brucei	PAB1-binding protein , putative	0.0078	0.0741	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0146	0.5
Echinococcus granulosus	tar DNA binding protein	0.0331	0.4406	0.4337
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.0204	0.0083
Plasmodium vivax	ataxin-2 like protein, putative	0.0078	0.0741	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0146	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0331	0.4406	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0084	0.0831	0.1887
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0146	0.0488
Schistosoma mansoni	intermediate filament proteins	0.0084	0.0831	0.1656
Entamoeba histolytica	hypothetical protein	0.0074	0.0692	1
Echinococcus granulosus	GPCR family 2	0.0048	0.0318	0.0198
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0146	0.5
Brugia malayi	cytoplasmic intermediate filament protein	0.0045	0.0268	0.0609
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0318	0.0198
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0146	0.0331
Schistosoma mansoni	hypothetical protein	0.0048	0.0318	0.0457
Entamoeba histolytica	hypothetical protein	0.0074	0.0692	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.2986	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0318	0.0721
Brugia malayi	MH2 domain containing protein	0.0257	0.3331	0.7561
Loa Loa (eye worm)	RNA binding protein	0.0331	0.4406	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0318	0.0457
Leishmania major	hypothetical protein, conserved	0.0078	0.0741	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0146	0.0331
Echinococcus granulosus	intermediate filament protein	0.0084	0.0831	0.0718
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0146	0.0488
Trichomonas vaginalis	esterase, putative	0.0036	0.0146	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0318	0.0198

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 621557