Detailed information for compound 1415183

Basic information

Technical information
  • TDR Targets ID: 1415183
  • Name: N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine -3-sulfonamide
  • MW: 269.343 | Formula: C10H11N3O2S2
  • H donors: 1 H acceptors: 4 LogP: 0.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1scc(n1)CNS(=O)(=O)c1cccnc1
  • InChi: 1S/C10H11N3O2S2/c1-8-13-9(7-16-8)5-12-17(14,15)10-3-2-4-11-6-10/h2-4,6-7,12H,5H2,1H3
  • InChiKey: WJTQWHPDQYHAKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-methylthiazol-4-yl)methyl]pyridine-3-sulfonamide
  • N-[(2-methyl-4-thiazolyl)methyl]-3-pyridinesulfonamide
  • SMR000016873
  • MLS000094158
  • MLS000102689

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0153 0.2285 0.5271
Brugia malayi Glutamate receptor 2 precursor 0.0137 0.1971 0.1894
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0169 0.1016
Entamoeba histolytica deoxyhypusine synthase, putative 0.0071 0.0635 1
Loa Loa (eye worm) glutamate receptor 1 0.0137 0.1971 0.1894
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0153 0.2285 0.5271
Plasmodium falciparum deoxyhypusine synthase 0.0071 0.0635 1
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0056 0.0318 0.0537
Leishmania major deoxyhypusine synthase, putative 0.0071 0.0635 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0056 0.0318 0.0537
Brugia malayi Glutamate receptor 1 precursor 0.0137 0.1971 0.1894
Echinococcus granulosus glutamate receptor 2 0.0097 0.1161 0.2566
Trypanosoma brucei trypanothione reductase 0.0048 0.0169 0.1387
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Loa Loa (eye worm) runx1 0.0067 0.0549 0.0459
Echinococcus multilocularis glutamate receptor NMDA 0.0081 0.0821 0.1749
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0169 0.0076
Echinococcus granulosus glutamate receptor 2 0.0153 0.2285 0.5271
Schistosoma mansoni glutamate receptor NMDA 0.0234 0.3913 0.9189
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.349 0.3428
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0169 0.1387
Echinococcus multilocularis glutamate receptor 2 0.0097 0.1161 0.2566
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.142 0.8511
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.142 0.8511
Onchocerca volvulus 0.0535 1 1
Trichomonas vaginalis deoxyhypusine synthase, putative 0.0071 0.0635 0.1355
Giardia lamblia Deoxyhypusine synthase, putative 0.0071 0.0635 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.1669 1
Echinococcus multilocularis NMDA receptor 0.0056 0.0318 0.0537
Brugia malayi Pre-SET motif family protein 0.0213 0.349 0.3428
Schistosoma mansoni ATP-binding cassette transporter 0.0137 0.1971 0.4515
Toxoplasma gondii thioredoxin reductase 0.0048 0.0169 0.1387
Loa Loa (eye worm) glutamate receptor 2 0.0137 0.1971 0.1894
Toxoplasma gondii deoxyhypusine synthase 0.0071 0.0635 1
Brugia malayi glutathione reductase 0.0048 0.0169 0.0076
Trichomonas vaginalis set domain proteins, putative 0.0242 0.4083 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0153 0.2285 0.5271
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0094 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0156 0.2339 0.5401
Schistosoma mansoni glutamate receptor kainate 0.0137 0.1971 0.4515
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.1669 1
Loa Loa (eye worm) deoxyhypusine synthase 0.0071 0.0635 0.0546
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0153 0.2285 0.5271
Brugia malayi Cytochrome P450 family protein 0.0046 0.0127 0.0033
Schistosoma mansoni lozenge 0.0067 0.0549 0.1094
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0056 0.0318 0.0537
Trypanosoma cruzi deoxyhypusine synthase, putative 0.0071 0.0635 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0714 0.149
Plasmodium vivax deoxyhypusine synthase, putative 0.0071 0.0635 1
Schistosoma mansoni hypothetical protein 0.0056 0.0318 0.0537
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.1669 1
Brugia malayi hypothetical protein 0.0124 0.1706 0.1627
Schistosoma mansoni glutamate receptor kainate 0.0137 0.1971 0.4515
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0056 0.0318 0.0537
Loa Loa (eye worm) glutathione reductase 0.0048 0.0169 0.0076
Echinococcus granulosus nmda type glutamate receptor 0.0096 0.1136 0.2506
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0094 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0156 0.2339 0.5401
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0056 0.0318 0.0537
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0153 0.2285 0.5271
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0075 0.0711 0.1483
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.142 0.8511
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0169 0.0181
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.1669 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.142 0.8511
Trypanosoma brucei deoxyhypusine synthase 0.0071 0.0635 1
Schistosoma mansoni glutamate receptor kainate 0.0137 0.1971 0.4515
Schistosoma mansoni glutamate receptor AMPA 0.0137 0.1971 0.4515
Echinococcus granulosus deoxyhypusine synthase 0.0071 0.0635 0.1301
Echinococcus multilocularis glutamate receptor 2 0.0153 0.2285 0.5271
Schistosoma mansoni glutamate receptor NMDA 0.025 0.425 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0056 0.0318 0.0537
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.142 0.8511
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0056 0.0318 0.0537
Schistosoma mansoni lipoxygenase 0.0056 0.0333 0.0574
Brugia malayi Thioredoxin reductase 0.0048 0.0169 0.0076
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0153 0.2285 0.5271
Echinococcus multilocularis glutamate receptor 2 0.0137 0.1971 0.4515
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0714 0.149
Echinococcus granulosus glutamate NMDA receptor subunit 0.025 0.425 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0169 0.0181
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Echinococcus multilocularis deoxyhypusine synthase 0.0071 0.0635 0.1301
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0153 0.2285 0.5271
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0333 0.0574
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0333 0.0574
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0127 0.0033
Loa Loa (eye worm) hypothetical protein 0.0324 0.5743 0.5702
Mycobacterium tuberculosis Probable reductase 0.011 0.142 0.8511
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.025 0.425 1
Echinococcus multilocularis nmda type glutamate receptor 0.0096 0.1136 0.2506
Echinococcus multilocularis Protein lozenge 0.0067 0.0549 0.1094
Schistosoma mansoni glutamate receptor AMPA 0.0137 0.1971 0.4515
Schistosoma mansoni deoxyhypusine synthase 0.0071 0.0635 0.1301
Entamoeba histolytica deoxyhypusine synthase, putative 0.0071 0.0635 1
Leishmania major trypanothione reductase 0.0048 0.0169 0.1387
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0153 0.2285 0.5271
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.142 0.8511
Echinococcus granulosus glutamate receptor NMDA 0.0081 0.0821 0.1749
Brugia malayi deoxyhypusine synthase 0.0071 0.0635 0.0546

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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