TDR Targets

Basic information

Technical information

TDR Targets ID: 1608364
Name: 1-(3-chloropropyl)cyclohexane-1-carbonitrile
MW: 185.694 | Formula: C10H16ClN
H donors: 0 H acceptors: 1 LogP: 3.19 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: ClCCCC1(CCCCC1)C#N
InChi: 1S/C10H16ClN/c11-8-4-7-10(9-12)5-2-1-3-6-10/h1-8H2
InChiKey: KMDCKLDEDWBAKT-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-(3-chloropropyl)-1-cyclohexanecarbonitrile
NSC617413
NCI60_005253

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	fkbp-rapamycin associated protein	0.0036	0.0021	0.0021
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0188	0.0416	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0063	0.0092	0.0092
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0063	0.0092	0.0248
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.006	0.006
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0188	0.0416	0.0453
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0102	0.0102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1157	0.2933	0.3191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0217	0.5217
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0188	0.0416	0.1375
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1143	0.2896	1
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0102	0.0103
Schistosoma mansoni	rap gtpase-activating protein	0.1143	0.2896	0.2896
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1143	0.2896	0.2896
Loa Loa (eye worm)	transcription factor SMAD2	0.0496	0.1216	0.122
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0102	0.0102
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1157	0.2933	0.2943
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0021	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.0416	1
Schistosoma mansoni	hypothetical protein	0.0148	0.0313	0.0313
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0016	0.0016
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0245	0.5891
Loa Loa (eye worm)	hypothetical protein	0.1143	0.2896	0.2907
Schistosoma mansoni	protein kinase	0.3879	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.0416	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.0021	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4602
Loa Loa (eye worm)	MH2 domain-containing protein	0.0496	0.1216	0.122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4612
Schistosoma mansoni	microtubule-associated protein tau	0.3567	0.9191	0.9191
Echinococcus granulosus	microtubule associated protein 2	0.3567	0.9191	0.9224
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0102	0.0103
Giardia lamblia	GTOR	0.0188	0.0416	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0092	0.2215
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0016	0.0018
Brugia malayi	RNA binding protein	0.0067	0.0102	0.0102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.0416	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.006	0.006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.006	0.143
Brugia malayi	Smad1	0.0034	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.004	0.0031	0.0032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0092	0.2215
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0102	0.0102
Trypanosoma cruzi	target of rapamycin kinase 3	0.015	0.0317	0.103
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1157	0.2933	0.2943
Loa Loa (eye worm)	hypothetical protein	0.1143	0.2896	0.2907
Schistosoma mansoni	Smad4	0.0034	0.0016	0.0016
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0063	0.0092	0.0248
Entamoeba histolytica	hypothetical protein	0.0148	0.0313	0.7386
Echinococcus granulosus	smad	0.0034	0.0016	0.0016
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0188	0.0416	0.0418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0092	0.2215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0256	0.6144
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0016	0.0016
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.022	0.5286
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0102	0.0103
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0078	0.0131	0.0384
Entamoeba histolytica	hypothetical protein	0.0148	0.0313	0.7386
Schistosoma mansoni	protein kinase	0.2736	0.7032	0.7032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0092	0.2215
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0063	0.0092	0.0248
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0089	0.0159	0.0481
Echinococcus multilocularis	Smad4	0.0034	0.0016	0.0018
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.006	0.0061
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0188	0.0416	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0019	0.0019
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0188	0.0416	0.1375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0317	0.7603
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1157	0.2933	0.3191
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0102	0.0102
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0016	0.0016
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.015	0.0317	0.103
Echinococcus granulosus	Smad4	0.0034	0.0016	0.0016
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0063	0.0092	0.0093
Onchocerca volvulus		0.1143	0.2896	1
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.2736	0.7032	0.7058
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0204	0.0204
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1157	0.2933	0.3191
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1143	0.2896	1
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0102	0.0103
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0148	0.0313	0.0341
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4612
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1157	0.2933	0.2943
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.015	0.0317	0.6934
Schistosoma mansoni	transcription factor LCR-F1	0.0148	0.0313	0.0313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.016	0.0345	0.8287
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1143	0.2896	0.3151
Brugia malayi	Temporarily assigned gene name protein 59	0.1143	0.2896	0.2896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.022	0.5286
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0148	0.0313	0.0314
Schistosoma mansoni	hypothetical protein	0.1143	0.2896	0.2896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0092	0.2215
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0102	0.0111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4612
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0188	0.0416	0.1375
Brugia malayi	MH2 domain containing protein	0.0034	0.0016	0.0016
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0036	0.0021	0.0021
Schistosoma mansoni	serine/threonine protein kinase	0.1157	0.2933	0.2933
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0188	0.0416	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0317	0.7603
Echinococcus multilocularis	microtubule associated protein 2	0.3567	0.9191	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0317	0.7603
Echinococcus multilocularis	serine protein kinase ATM	0.0036	0.0021	0.0023
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0063	0.0092	0.0092
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0016	0.0016
Brugia malayi	TAR-binding protein	0.0067	0.0102	0.0102
Entamoeba histolytica	hypothetical protein	0.0148	0.0313	0.7386
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.0204	0.0204
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0016	0.0018
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0188	0.0416	1
Brugia malayi	MH1 domain containing protein	0.0034	0.0016	0.0016
Echinococcus multilocularis		0.2736	0.7032	0.7652
Brugia malayi	MH1 domain containing protein	0.0034	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.1143	0.2896	0.2907
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0102	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0051	0.006	0.0061
Schistosoma mansoni	protein kinase	0.1157	0.2933	0.2933
Loa Loa (eye worm)	Smad1	0.0034	0.0016	0.0016
Brugia malayi	hypothetical protein	0.0148	0.0313	0.0313
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0021	0.0503
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4602
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0016	0.0016
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1143	0.2896	0.2907
Entamoeba histolytica	hypothetical protein	0.0148	0.0313	0.7386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.022	0.5286
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0317	0.7603
Loa Loa (eye worm)	phosphatidylinositol 3	0.0188	0.0416	0.0418
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0063	0.0092	0.01
Brugia malayi	MH2 domain containing protein	0.0496	0.1216	0.1216
Brugia malayi	Protein kinase domain containing protein	0.1157	0.2933	0.2933
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0063	0.0092	0.0248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0021	0.0503
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.004	0.0031	0.039
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1157	0.2933	0.2943
Schistosoma mansoni	vam6/vps39 related	0.1143	0.2896	0.2896
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0188	0.0416	0.0416
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.0317	0.7603
Toxoplasma gondii	target of rapamycin (TOR), putative	0.014	0.0291	1
Brugia malayi	hypothetical protein	0.1143	0.2896	0.2896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0021	0.0503
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.0021	0.0021
Schistosoma mansoni	smad	0.0034	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.3865	0.9964	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0188	0.0416	0.0416
Echinococcus granulosus	serine protein kinase ATM	0.0036	0.0021	0.0021
Schistosoma mansoni	serine/threonine protein kinase	0.1157	0.2933	0.2933
Echinococcus granulosus	protein kinase	0.2736	0.7032	0.7058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4612
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0016	0.0016
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0188	0.0416	0.1375
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0102	0.0102
Brugia malayi	MH2 domain containing protein	0.0034	0.0016	0.0016
Loa Loa (eye worm)	phosphatidylinositol 3	0.0063	0.0092	0.0093
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0036	0.0021	0.0023
Echinococcus granulosus	tumor protein p63	0.0723	0.1807	0.1813
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0036	0.0021	0.0021
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.3865	0.9964	1
Echinococcus multilocularis	smad	0.0034	0.0016	0.0018
Echinococcus granulosus	Vam6:Vps39 protein	0.1143	0.2896	0.2907
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0031	0.0756
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0291	0.6999
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1143	0.2896	0.2896
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1143	0.2896	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0217	0.5217
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0028	0.0028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0192	0.4602
Schistosoma mansoni	hypothetical protein	0.0035	0.0019	0.0019
Echinococcus multilocularis	tumor protein p63	0.0723	0.1807	0.1966

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	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: CHEMBL1990235

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 1608364