Detailed information for compound 1280260

Basic information

Technical information
  • TDR Targets ID: 1280260
  • Name: 6-chloro-N-cyclohexylpyridine-3-sulfonamide
  • MW: 274.767 | Formula: C11H15ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 2.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cn1)S(=O)(=O)NC1CCCCC1
  • InChi: 1S/C11H15ClN2O2S/c12-11-7-6-10(8-13-11)17(15,16)14-9-4-2-1-3-5-9/h6-9,14H,1-5H2
  • InChiKey: JNFXRSADYROONU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-N-cyclohexyl-pyridine-3-sulfonamide
  • 6-chloro-N-cyclohexyl-3-pyridinesulfonamide
  • ZINC00339776
  • AF-399/42309706
  • MLS000704831
  • SMR000230581

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor 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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans 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
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative 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
Candida albicans Mitochondrial aldehyde dehydrogenase 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Schistosoma mansoni 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 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
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
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1074 0.3291 0.3134
Loa Loa (eye worm) phosphatidylinositol 3 0.0667 0.1653 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.0835 0.4258
Trichomonas vaginalis PIKK family atypical protein kinase 0.035 0.0373 0.1017
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0557 0.1208 0.6526
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1074 0.3291 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0357 0.0403 0.1223
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0465 0.0835 0.198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0557 0.1208 0.3671
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0465 0.0835 0.2537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Leishmania major phosphatidylinositol 3-kinase, putative 0.0557 0.1208 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0557 0.1208 0.1003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0557 0.1208 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Loa Loa (eye worm) hypothetical protein 0.0357 0.0403 0.1222
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Loa Loa (eye worm) hypothetical protein 0.035 0.0373 0.1017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1074 0.3291 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0557 0.1208 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0667 0.1653 0.524
Trichomonas vaginalis PIKK family atypical protein kinase 0.0667 0.1653 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0465 0.0835 0.3608
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1074 0.3291 1
Trypanosoma cruzi hypothetical protein, conserved 0.0933 0.2721 0.8269
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0557 0.1208 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0424 0.0673 0.3121
Leishmania major hypothetical protein, conserved 0.104 0.3154 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0557 0.1208 0.3831
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Toxoplasma gondii target of rapamycin (TOR), putative 0.0557 0.1208 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Entamoeba histolytica hypothetical protein 0.0465 0.0835 0.6189
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0557 0.1208 0.3199
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0557 0.1208 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0557 0.1208 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0314 0.0229 0.0695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0557 0.1208 0.6526
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1074 0.3291 1
Toxoplasma gondii FATC domain-containing protein 0.0465 0.0835 0.5528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0557 0.1208 0.6879
Trichomonas vaginalis conserved hypothetical protein 0.035 0.0373 0.1017
Echinococcus multilocularis serine protein kinase ATM 0.0465 0.0835 0.0621
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0667 0.1653 1
Giardia lamblia GTOR 0.0557 0.1208 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0557 0.1208 0.3199
Trypanosoma cruzi target of rapamycin kinase 3 0.0557 0.1208 0.3671
Loa Loa (eye worm) phosphatidylinositol 3 0.0557 0.1208 0.6879
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0557 0.1208 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1074 0.3291 0.3134
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0557 0.1208 0.1003
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0557 0.1208 0.3671
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0424 0.0673 0.4536
Echinococcus granulosus serine protein kinase ATM 0.0465 0.0835 0.0621
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0465 0.0835 0.198
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2738 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 19.9526 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) = 28.1838 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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