TDR Targets

Basic information

Technical information

TDR Targets ID: 864111
Name: 1-cyclohexyl-N-cyclopentyl-2-[1-(4-methylphen yl)sulfonylpiperidin-4-yl]benzimidazole-5-car boxamide
MW: 548.739 | Formula: C31H40N4O3S
H donors: 1 H acceptors: 4 LogP: 5.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2c(n1C1CCCCC1)ccc(c2)C(=O)NC1CCCC1
InChi: 1S/C31H40N4O3S/c1-22-11-14-27(15-12-22)39(37,38)34-19-17-23(18-20-34)30-33-28-21-24(31(36)32-25-7-5-6-8-25)13-16-29(28)35(30)26-9-3-2-4-10-26/h11-16,21,23,25-26H,2-10,17-20H2,1H3,(H,32,36)
InChiKey: KQKDEMDPGZBUKP-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-cyclohexyl-N-cyclopentyl-2-[1-(4-methylphenyl)sulfonyl-4-piperidyl]benzimidazole-5-carboxamide
1-cyclohexyl-N-cyclopentyl-2-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-5-benzimidazolecarboxamide

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
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0048	0.0299	0.0299
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Leishmania major	delta-5 fatty acid desaturase	0.0248	0.2479	0.2479
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0066	0.0497	0.0481
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0066	0.0497	0.0497
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Plasmodium falciparum	stearoyl-CoA desaturase	0.087	0.9273	1
Mycobacterium tuberculosis	Probable conserved membrane protein	0.0067	0.0504	1
Loa Loa (eye worm)	FAT-3 protein	0.0248	0.2479	0.2673
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2479	0.2673
Leishmania major	delta-4 fatty acid desaturase	0.0066	0.0497	0.0497
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Echinococcus multilocularis	geminin	0.0138	0.1279	0.2381
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0871	0.928	0.928
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0066	0.0497	0.0497
Trypanosoma brucei	delta-4 fatty acid desaturase	0.0066	0.0497	0.0497
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0153	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.0066	0.0497	0.0497
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0066	0.0497	0.0497
Trypanosoma cruzi	fatty acid desaturase, putative	0.0066	0.0497	0.0497
Brugia malayi	acyl-CoA desaturase	0.087	0.9273	1
Leishmania major	fatty-acid desaturase, putative	0.0937	1	1
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.0066	0.0497	0.0497
Onchocerca volvulus		0.0936	0.9993	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0299	0.0322
Leishmania major	fatty acid desaturase, putative	0.0066	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0412	0.4269	0.4603
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.087	0.9273	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0377	0.3892	0.4197
Toxoplasma gondii	GAF domain-containing protein	0.0035	0.0153	0.3086
Mycobacterium ulcerans	hypothetical protein	0.0067	0.0504	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0048	0.0299	0.0322
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.0066	0.0497	0.0481
Onchocerca volvulus		0.0936	0.9993	1
Loa Loa (eye worm)	fatty acid desaturase	0.0066	0.0497	0.0536
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Brugia malayi	Fatty acid desaturase family protein	0.0066	0.0497	0.0536
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0066	0.0497	0.9801
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.0066	0.0497	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0067	0.0504	0.0504
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma brucei	fatty acid desaturase, putative	0.0937	1	1
Schistosoma mansoni	hypothetical protein	0.0138	0.1279	0.448
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Echinococcus granulosus	Fatty acid desaturase type 1	0.0066	0.0497	0.0481
Loa Loa (eye worm)	fatty acid desaturase	0.0066	0.0497	0.0536
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Plasmodium falciparum	GAF domain-related protein, putative	0.0035	0.0153	0.0165
Toxoplasma gondii	hypothetical protein	0.0035	0.0153	0.3086
Leishmania major	delta-6 fatty acid desaturase	0.0067	0.0504	0.0504
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.0066	0.0497	0.0481
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0048	0.0299	0.0299
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0048	0.0299	0.0299
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.0066	0.0497	0.0497
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0048	0.0299	0.0299
Toxoplasma gondii	hypothetical protein	0.0035	0.0153	0.3086
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0497	0.9801
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0425	0.4414	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Schistosoma mansoni	hypothetical protein	0.0138	0.1279	0.448
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0048	0.0299	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0425	0.4414	0.476
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.0066	0.0497	0.9801
Mycobacterium ulcerans	electron transfer protein FdxB	0.0066	0.0497	0.9801
Trypanosoma cruzi	fatty acid desaturase, putative	0.0871	0.928	0.928
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0299	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0425	0.4414	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.0066	0.0497	0.0497
Brugia malayi	Fatty acid desaturase family protein	0.0066	0.0497	0.0536
Leishmania major	delta-12 fatty acid desaturase	0.0066	0.0497	0.0497
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.0066	0.0497	0.0481
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.0066	0.0497	0.0497
Echinococcus granulosus	geminin	0.0138	0.1279	0.2381
Loa Loa (eye worm)	acyl-CoA desaturase	0.087	0.9273	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0066	0.0497	0.0497
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0153	0.0165
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0066	0.0497	0.9801
Brugia malayi	Delta5 fatty acid desaturase	0.0248	0.2479	0.2673
Leishmania major	fatty acid desaturase, putative	0.0066	0.0497	0.0497
Trypanosoma cruzi	fatty acid desaturase, putative	0.0937	1	1
Toxoplasma gondii	hypothetical protein	0.0035	0.0153	0.3086
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.0066	0.0497	0.9801
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.0066	0.0497	0.9801
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0048	0.0299	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0048	0.0299	1
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.0066	0.0497	0.0497
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.0066	0.0497	0.9801
Schistosoma mansoni	fatty acid desaturase	0.0248	0.2486	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1759	0.1897
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0048	0.0299	0.0299
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.0067	0.0504	0.0504

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 864111