TDR Targets

Basic information

Technical information

TDR Targets ID: 805781
Name: 1-chloro-2-(2-cyanoethyl)-3-methylpyrido[1,2- a]benzimidazole-4-carbonitrile
MW: 294.738 | Formula: C16H11ClN4
H donors: 0 H acceptors: 3 LogP: 3.36 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#CCCc1c(C)c(C#N)c2n(c1Cl)c1ccccc1n2
InChi: 1S/C16H11ClN4/c1-10-11(5-4-8-18)15(17)21-14-7-3-2-6-13(14)20-16(21)12(10)9-19/h2-3,6-7H,4-5H2,1H3
InChiKey: RGGOHSDXPOPRSK-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

1-chloro-2-(2-cyanoethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
1-chloro-2-(2-cyanoethyl)-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
BAS 08139021
Oprea1_546146
Oprea1_400845
A3419/0145051

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
Schistosoma mansoni	cathepsin D (A01 family)	0.0156	0.3384	0.3321
Brugia malayi	hypothetical protein	0.0038	0.051	0.0497
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1147	0.1413
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0107	0.2204	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0064	0.1147	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0038	0.051	0.0558
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0064	0.1147	0.2295
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.051	0.2316
Trypanosoma brucei	Aminopeptidase M1, putative	0.0107	0.2204	1
Onchocerca volvulus		0.0038	0.051	0.0497
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Entamoeba histolytica	aminopeptidase, putative	0.0107	0.2204	0.5
Loa Loa (eye worm)	hypothetical protein	0.007	0.1285	0.1599
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Plasmodium falciparum	plasmepsin VI	0.0064	0.1147	0.2295
Brugia malayi	Peptidase family M1 containing protein	0.0365	0.8464	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0038	0.051	0.0558
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0295	0.677	0.896
Trypanosoma brucei	aminopeptidase, putative	0.0038	0.051	0.2316
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0038	0.051	0.2316
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.007	0.1285	0.5833
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Plasmodium falciparum	plasmepsin I	0.0064	0.1147	0.2295
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0038	0.051	0.2316
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0114	0.2361	0.2288
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0107	0.2204	0.2129
Brugia malayi	hypothetical protein	0.0107	0.2204	0.252
Brugia malayi	Pepsin A precursor	0.0028	0.0271	0.0211
Brugia malayi	hypothetical protein	0.0028	0.0271	0.0211
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0038	0.051	0.0627
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0038	0.051	0.042
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Loa Loa (eye worm)	TATA binding protein associated factor	0.0038	0.051	0.0558
Toxoplasma gondii	aminopeptidase n, putative	0.0038	0.051	0.0627
Loa Loa (eye worm)	aspartyl protease 6	0.0028	0.0271	0.0237
Schistosoma mansoni	cathepsin D (A01 family)	0.0156	0.3384	0.3321
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0028	0.0271	0.0237
Trypanosoma brucei	Aminopeptidase M1, putative	0.0107	0.2204	1
Toxoplasma gondii	aminopeptidase N protein	0.0038	0.051	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0271	0.0237
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0038	0.051	0.042
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0064	0.1147	0.1063
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0038	0.051	0.042
Loa Loa (eye worm)	hypothetical protein	0.007	0.1285	0.1599
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.051	0.0497
Mycobacterium ulcerans	aminopeptidase N PepN	0.0107	0.2204	1
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0028	0.0271	0.0211
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0107	0.2204	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.7546	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.007	0.1285	0.0975
Onchocerca volvulus		0.0028	0.0271	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0271	0.0237
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0107	0.2204	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Echinococcus multilocularis	aminopeptidase N	0.0365	0.8464	1
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.007	0.1285	0.1203
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0038	0.051	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0038	0.051	0.0558
Plasmodium falciparum	plasmepsin IV	0.0064	0.1147	0.2295
Onchocerca volvulus		0.0028	0.0271	0.0211
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Loa Loa (eye worm)	hypothetical protein	0.0038	0.051	0.0558
Onchocerca volvulus		0.0365	0.8464	1
Toxoplasma gondii	subtilisin SUB1	0.0185	0.4091	1
Plasmodium falciparum	plasmepsin II	0.0064	0.1147	0.2295
Trypanosoma cruzi	aminopeptidase, putative	0.0038	0.051	0.2316
Echinococcus granulosus	aminopeptidase N	0.0365	0.8464	1
Brugia malayi	Peptidase family M1 containing protein	0.0107	0.2204	0.252
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0107	0.2204	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0107	0.2204	0.2129
Brugia malayi	aspartic protease BmAsp-2, identical	0.0028	0.0271	0.0211
Plasmodium vivax	subtilisin-like protease 1	0.0185	0.4091	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0064	0.1147	0.1413
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Plasmodium vivax	plasmepsin IV, putative	0.0064	0.1147	0.2295
Brugia malayi	hypothetical protein	0.0028	0.0271	0.0211
Toxoplasma gondii	aspartyl protease ASP1	0.0064	0.1147	0.2295
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0107	0.2204	0.2129
Loa Loa (eye worm)	hypothetical protein	0.0257	0.5852	0.7728
Trypanosoma cruzi	aminopeptidase, putative	0.0107	0.2204	1
Brugia malayi	aspartic protease BmAsp-1, identical	0.0028	0.0271	0.0211
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0064	0.1147	0.3761
Plasmodium vivax	aspartyl proteinase, putative	0.0064	0.1147	0.2295
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0038	0.051	0.2316
Toxoplasma gondii	aminopeptidase N, putative	0.0038	0.051	0.0627
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0107	0.2204	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0064	0.1147	0.0801
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.051	0.0627
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0107	0.2204	1
Brugia malayi	TATA binding protein associated factor	0.0038	0.051	0.0497
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Onchocerca volvulus		0.0107	0.2204	0.252
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0038	0.051	0.0627
Loa Loa (eye worm)	aminopeptidase N	0.0107	0.2204	0.2831
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0028	0.0271	0.0178
Plasmodium falciparum	subtilisin-like protease 1	0.0185	0.4091	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0107	0.2204	1

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 805781