Detailed information for compound 1358473

Basic information

Technical information
  • TDR Targets ID: 1358473
  • Name: N-[[4-(piperidine-1-carbonyl)cyclohexyl]methy l]thiophene-2-sulfonamide
  • MW: 370.53 | Formula: C17H26N2O3S2
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCCC1)C1CCC(CC1)CNS(=O)(=O)c1cccs1
  • InChi: 1S/C17H26N2O3S2/c20-17(19-10-2-1-3-11-19)15-8-6-14(7-9-15)13-18-24(21,22)16-5-4-12-23-16/h4-5,12,14-15,18H,1-3,6-11,13H2
  • InChiKey: IKABZWQVMQKXSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[4-[oxo-(1-piperidyl)methyl]cyclohexyl]methyl]-2-thiophenesulfonamide
  • N-[(4-piperidin-1-ylcarbonylcyclohexyl)methyl]thiophene-2-sulfonamide
  • N-{[4-(piperidin-1-ylcarbonyl)cyclohexyl]methyl}thiophene-2-sulfonamide
  • EU-0024724
  • SMR000025431
  • MLS000090828

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0055 0.6531 0.5
Leishmania major methionine aminopeptidase 2, putative 0.0055 0.6531 0.6531
Echinococcus multilocularis methionyl aminopeptidase 2 0.0055 0.6531 0.4479
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0039 0.3716 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0039 0.3716 0.5
Giardia lamblia Methionine aminopeptidase 0.0055 0.6531 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0055 0.6531 0.6531
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0055 0.6531 0.9034
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0058 0.7229 0.559
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0058 0.7229 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0058 0.7229 1
Brugia malayi Methionine aminopeptidase protein type I 0.0058 0.7229 1
Toxoplasma gondii methionine aminopeptidase 0.0058 0.7229 0.7229
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0055 0.6531 0.9034
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0055 0.6531 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0039 0.3716 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0058 0.7229 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 1 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0055 0.6531 0.9034
Toxoplasma gondii aldehyde dehydrogenase 0.0073 1 1
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0055 0.6531 0.9034
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 1 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0039 0.3716 0.5141
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0039 0.3716 0.5141
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0039 0.3716 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0055 0.6531 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.0055 0.6531 0.9034
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0055 0.6531 0.5
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0058 0.7229 0.7229
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0055 0.6531 0.4479
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0058 0.7229 0.2013
Schistosoma mansoni aldehyde dehydrogenase 0.0073 1 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0058 0.7229 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0058 0.7229 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0055 0.6531 0.5
Toxoplasma gondii methionine aminopeptidase 0.0039 0.3716 0.3716
Entamoeba histolytica methionine aminopeptidase, putative 0.0055 0.6531 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0058 0.7229 1
Chlamydia trachomatis methionine aminopeptidase 0.0039 0.3716 0.5
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0039 0.3716 0.3716
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0058 0.7229 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0058 0.7229 1
Plasmodium falciparum methionine aminopeptidase 2 0.0055 0.6531 0.9034

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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

Bibliographic References

No literature references available for this target.

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