Detailed information for compound 1326888

Basic information

Technical information
  • TDR Targets ID: 1326888
  • Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2 -(2-nitropyridin-3-yl)oxyacetamide
  • MW: 454.885 | Formula: C18H19ClN4O6S
  • H donors: 1 H acceptors: 6 LogP: 2.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(ccc1Cl)S(=O)(=O)N1CCCCC1)COc1cccnc1[N+](=O)[O-]
  • InChi: 1S/C18H19ClN4O6S/c19-14-7-6-13(30(27,28)22-9-2-1-3-10-22)11-15(14)21-17(24)12-29-16-5-4-8-20-18(16)23(25)26/h4-8,11H,1-3,9-10,12H2,(H,21,24)
  • InChiKey: BYZOWMTWUFPMTC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide
  • N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(2-nitro-3-pyridyl)oxy]acetamide
  • N-(2-chloro-5-piperidin-1-ylsulfonyl-phenyl)-2-(2-nitropyridin-3-yl)oxy-ethanamide
  • SMR000369599
  • T5252601
  • MLS000761288

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.6192 0.7041
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.973 0.929
Loa Loa (eye worm) TAR-binding protein 0.0068 0.1674 0.1674
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0184 0.551 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.033 0.033
Brugia malayi RNA binding protein 0.0068 0.1674 0.1674
Loa Loa (eye worm) hypothetical protein 0.0035 0.0595 0.0595
Schistosoma mansoni glutaminase 0.032 1 1
Brugia malayi glutaminase DH11.1 0.032 1 1
Trichomonas vaginalis glutaminase, putative 0.032 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.973 0.929
Brugia malayi hypothetical protein 0.0184 0.551 0.551
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.973 0.929
Mycobacterium ulcerans glutaminase 0.032 1 0.5
Onchocerca volvulus 0.0035 0.0595 0.0137
Echinococcus granulosus GPCR family 2 0.0034 0.0548 0.0127
Loa Loa (eye worm) glutaminase 0.032 1 1
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0484 0.0484
Plasmodium vivax SET domain protein, putative 0.0035 0.0595 1
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0184 0.551 0.551
Echinococcus granulosus tar DNA binding protein 0.0068 0.1674 0.2369
Trichomonas vaginalis set domain proteins, putative 0.0277 0.8591 0.6299
Brugia malayi TAR-binding protein 0.0068 0.1674 0.1674
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.973 0.929
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0548 0.0127
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0832 0.0692
Loa Loa (eye worm) hypothetical protein 0.0106 0.2936 0.2936
Brugia malayi intermediate filament protein 0.0032 0.0484 0.0484
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.033 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.2936 0.2936
Schistosoma mansoni hypothetical protein 0.0034 0.0548 0.0067
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0595 0.0222
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6556 0.0954
Entamoeba histolytica hypothetical protein 0.0042 0.0832 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0484 0.0484
Schistosoma mansoni hypothetical protein 0.0034 0.0548 0.0067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0548 0.0548
Entamoeba histolytica hypothetical protein 0.0042 0.0832 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0595 0.0117
Brugia malayi Pre-SET motif family protein 0.0244 0.748 0.748
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.1674 0.1674
Loa Loa (eye worm) hypothetical protein 0.0034 0.0548 0.0548
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.033 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1674 0.1251
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0595 0.0222
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0553 0.0137
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.033 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0548 0.0127
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1674 0.1251
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0832 0.0366
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.973 0.973
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.1674 0.1674
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1674 0.1251
Echinococcus multilocularis GPCR, family 2 0.0034 0.0548 0.0127
Brugia malayi hypothetical protein 0.0017 0.0015 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0595 0.0117
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0548 0.0127
Schistosoma mansoni hypothetical protein 0.0034 0.0548 0.0067
Schistosoma mansoni hypothetical protein 0.0034 0.0548 0.0067
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.551 0.5281
Schistosoma mansoni hypothetical protein 0.0072 0.1831 0.1416
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0548 0.0127
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.033 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.973 0.929
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0548 0.0548
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.2936 0.2936
Entamoeba histolytica hypothetical protein 0.0042 0.0832 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.2936 0.2936
Brugia malayi Pre-SET motif family protein 0.0035 0.0595 0.0595
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0484 0.0484
Loa Loa (eye worm) hypothetical protein 0.0032 0.0484 0.0484
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0832 0.0692
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0595 0.0222
Loa Loa (eye worm) RNA binding protein 0.0068 0.1674 0.1674
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0595 0.0117
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.033 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0595 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1831 0.1831
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.973 0.929
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0548 0.0548
Schistosoma mansoni hypothetical protein 0.0042 0.0832 0.0366
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1674 0.1251
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1674 0.1251
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1831 0.1831
Onchocerca volvulus 0.0277 0.8591 1
Leishmania major hypothetical protein, conserved 0.0027 0.033 0.5
Brugia malayi hypothetical protein 0.0027 0.033 0.033
Brugia malayi Serine/threonine-protein kinase SULU 0.0184 0.551 0.551
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0244 0.748 0.748
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0595 0.0117
Echinococcus multilocularis tar DNA binding protein 0.0068 0.1674 0.2369
Brugia malayi hypothetical protein 0.0042 0.0832 0.0832
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.6556 0.0954
Entamoeba histolytica hypothetical protein 0.0042 0.0832 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0465 0.0465
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.973 0.973
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0184 0.551 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 1.4545 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] 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
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Giardia lamblia

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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