TDR Targets

Basic information

Technical information

TDR Targets ID: 808046
Name: 2-[(4-chlorophenyl)amino]cyclopentene-1-carbo nitrile
MW: 218.682 | Formula: C12H11ClN2
H donors: 1 H acceptors: 1 LogP: 3.61 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1=C(CCC1)Nc1ccc(cc1)Cl
InChi: 1S/C12H11ClN2/c13-10-4-6-11(7-5-10)15-12-3-1-2-9(12)8-14/h4-7,15H,1-3H2
InChiKey: NECOTOQFSAVDFN-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

2-[(4-chlorophenyl)amino]-1-cyclopentenecarbonitrile
ZINC00285601
BIM-0013058.P001
CBMicro_012960
2-(4-Chloroanilino)-1-cyclopentene-1-carbonitrile
Cyclopentene-1-carbonitrile, 2-(4-chlorophenyl)-
STK096345

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)	hypothetical protein	0.0352	0.1687	0.2241
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0258	0.0984	0.0275
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0945	0.6142	0.8156
Echinococcus multilocularis	serine threonine protein kinase	0.1234	0.8313	0.818
Entamoeba histolytica	protein kinase, putative	0.03	0.1297	1
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0134	0.0051	0.0068
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Schistosoma mansoni	atypical protein kinase C	0.052	0.2952	0.2397
Echinococcus granulosus	serine:threonine protein kinase N2	0.0296	0.1264	0.0577
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0231	0.0781	0.1037
Echinococcus granulosus	myotubularin protein 13	0.0229	0.0762	0.0035
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Entamoeba histolytica	protein kinase, putative	0.0296	0.1264	0.9431
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0296	0.1264	0.0577
Echinococcus granulosus	unc 13 munc13	0.0258	0.0984	0.0275
Brugia malayi	Pleckstrin Homology Domain	0.0229	0.0762	0.0045
Echinococcus granulosus	NDR protein kinase	0.0296	0.1264	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0258	0.0984	0.1307
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0296	0.1264	0.0577
Trichomonas vaginalis	AGC family protein kinase	0.0296	0.1264	0.6146
Brugia malayi	p70 ribosomal S6 kinase beta	0.0296	0.1264	0.0753
Schistosoma mansoni	serine/threonine protein kinase	0.0296	0.1264	0.0577
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0359	0.1739	0.1421
Schistosoma mansoni	serine/threonine protein kinase	0.0231	0.0781	0.0056
Loa Loa (eye worm)	hypothetical protein	0.1129	0.7524	0.9991
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0225	0.073	0.0969
Schistosoma mansoni	unc-13 (munc13)	0.0258	0.0984	0.0275
Schistosoma mansoni	serine/threonine kinase	0.0296	0.1264	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0225	0.073	0.0969
Brugia malayi	Hr1 repeat family protein	0.0296	0.1264	0.0753
Echinococcus multilocularis	myotubularin protein 13	0.0229	0.0762	0.0035
Brugia malayi	protein kinase C II.	0.0834	0.5307	0.6447
Brugia malayi	C1-like domain containing protein	0.0359	0.1739	0.1421
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0225	0.073	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0225	0.073	0.0969
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0296	0.1264	0.0577
Entamoeba histolytica	protein kinase, putative	0.03	0.1297	1
Loa Loa (eye worm)	hypothetical protein	0.0834	0.5309	0.7049
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0296	0.1264	0.0577
Schistosoma mansoni	protein kinase C	0.0258	0.0984	0.0275
Schistosoma mansoni	vav2	0.0229	0.0762	0.0035
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.1458	1	1
Onchocerca volvulus		0.0352	0.1687	0.3178
Loa Loa (eye worm)	hypothetical protein	0.0225	0.073	0.0969
Brugia malayi	Protein kinase domain containing protein	0.0231	0.0781	0.0073
Trichomonas vaginalis	AGC family protein kinase	0.0296	0.1264	0.6146
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.03	0.1297	0.1722
Loa Loa (eye worm)	raf kinase	0.0225	0.073	0.0969
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0296	0.1264	0.1679
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0296	0.1264	0.0577
Brugia malayi	Protein kinase domain containing protein	0.0296	0.1264	0.0753
Brugia malayi	Protein kinase c protein 2	0.1169	0.783	1
Onchocerca volvulus		0.0258	0.0984	0.1854
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0296	0.1264	0.1679
Schistosoma mansoni	unc-13 (munc13)	0.0258	0.0984	0.0275
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0904	0.5836	0.5508
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0296	0.1264	0.1679
Schistosoma mansoni	serine/threonine protein kinase	0.1458	1	1
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0359	0.1739	0.2309
Loa Loa (eye worm)	hypothetical protein	0.0904	0.5836	0.775
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0834	0.5307	0.7048
Loa Loa (eye worm)	hypothetical protein	0.0225	0.073	0.0969
Brugia malayi	Protein kinase domain containing protein	0.0296	0.1264	0.0753
Loa Loa (eye worm)	hypothetical protein	0.113	0.7531	1
Echinococcus multilocularis	protein kinase c iota type	0.052	0.2952	0.2397
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0296	0.1264	0.1679
Onchocerca volvulus		0.0834	0.5309	1
Onchocerca volvulus		0.0356	0.172	0.3239
Trichomonas vaginalis	AGC family protein kinase	0.0296	0.1264	0.6146
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0231	0.0781	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0834	0.5309	0.7049
Echinococcus multilocularis	protein kinase c epsilon type	0.0834	0.5307	0.4938
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0762	0.1012
Schistosoma mansoni	serine/threonine protein kinase	0.0231	0.0781	0.0056
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0231	0.0781	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0225	0.073	0.0969
Schistosoma mansoni	serine/threonine protein kinase	0.0296	0.1264	0.0577
Schistosoma mansoni	protein kinase C mu	0.0359	0.1739	0.1088
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Echinococcus granulosus	serine:threonine protein kinase N2	0.0286	0.1195	0.0502
Toxoplasma gondii	AGC kinase	0.0296	0.1264	1
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0258	0.0984	0.0275
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0296	0.1264	0.1679
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0296	0.1264	0.0577
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0575	0.3365	0.2843
Echinococcus granulosus	protein kinase c iota type	0.052	0.2952	0.2397
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0291	0.1227	0.8775
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0225	0.073	0.0969
Brugia malayi	Protein kinase domain containing protein	0.03	0.1297	0.0799
Echinococcus granulosus	protein kinase c epsilon type	0.0834	0.5307	0.4938
Echinococcus granulosus	protein kinase C gamma type	0.1234	0.8313	0.818
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Loa Loa (eye worm)	hypothetical protein	0.0356	0.172	0.2283
Echinococcus multilocularis	RNA directed DNA polymerase	0.0904	0.5836	0.5508
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0296	0.1264	0.0577
Schistosoma mansoni	serine/threonine protein kinase	0.0296	0.1264	0.0577
Loa Loa (eye worm)	hypothetical protein	0.1058	0.6996	0.929
Schistosoma mansoni	serine/threonine protein kinase	0.1458	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0296	0.1264	0.0577
Brugia malayi	protein kinase C3,putative	0.0231	0.0781	0.0073
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0225	0.073	0.0969
Entamoeba histolytica	protein kinase, putative	0.0296	0.1264	0.9431
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0296	0.1264	0.1679
Trichomonas vaginalis	AGC family protein kinase	0.03	0.1297	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0296	0.1264	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0834	0.5309	0.7049
Echinococcus granulosus	RNA directed DNA polymerase	0.0904	0.5836	0.5508
Trypanosoma brucei	rac serine-threonine kinase, putative	0.03	0.1297	0.5
Loa Loa (eye worm)	hypothetical protein	0.0225	0.073	0.0969
Schistosoma mansoni	serine/threonine protein kinase	0.0834	0.5307	0.4938
Echinococcus multilocularis	unc 13 (munc13)	0.0258	0.0984	0.0275

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 808046