Detailed information for compound 1456843

Basic information

Technical information
  • TDR Targets ID: 1456843
  • Name: 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-pyridi n-3-ylpiperidine-4-carboxamide
  • MW: 387.413 | Formula: C17H17N5O4S
  • H donors: 1 H acceptors: 6 LogP: 0.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1cccc2c1non2)Nc1cccnc1
  • InChi: 1S/C17H17N5O4S/c23-17(19-13-3-2-8-18-11-13)12-6-9-22(10-7-12)27(24,25)15-5-1-4-14-16(15)21-26-20-14/h1-5,8,11-12H,6-7,9-10H2,(H,19,23)
  • InChiKey: TVZPICYEVGPVBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(3-pyridyl)piperidine-4-carboxamide
  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-(3-pyridyl)-4-piperidinecarboxamide
  • 1-benzofurazan-4-ylsulfonyl-N-(3-pyridyl)isonipecotamide
  • 1-(2,1,3-benzoxadiazol-7-ylsulfonyl)-N-pyridin-3-yl-piperidine-4-carboxamide
  • MLS000521710
  • SMR000132118

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.014 0.0155
Echinococcus granulosus Smad4 0.0017 0.014 0.0155
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0143 0.3002 0.7517
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0199 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0019 0.0199 0.5
Brugia malayi isocitrate dehydrogenase 0.0031 0.0463 0.0463
Loa Loa (eye worm) hypothetical protein 0.0294 0.6433 0.6433
Brugia malayi hypothetical protein 0.0019 0.0199 0.0199
Brugia malayi Latrophilin receptor protein 2 0.0143 0.3002 0.3002
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0463 0.0512
Brugia malayi TAR-binding protein 0.0187 0.3993 0.3993
Schistosoma mansoni Smad4 0.0017 0.014 0.0207
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0463 0.0684
Brugia malayi MH2 domain containing protein 0.0017 0.014 0.014
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0463 0.5
Loa Loa (eye worm) TAR-binding protein 0.0187 0.3993 0.3993
Brugia malayi MH2 domain containing protein 0.0244 0.5297 0.5297
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.014 0.014
Brugia malayi Calcitonin receptor-like protein seb-1 0.0452 1 1
Schistosoma mansoni tar DNA-binding protein 0.0187 0.3993 0.5906
Brugia malayi RNA binding protein 0.0187 0.3993 0.3993
Schistosoma mansoni smad1 5 8 and 0.0017 0.014 0.0207
Schistosoma mansoni tar DNA-binding protein 0.0187 0.3993 0.5906
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0463 1
Echinococcus granulosus nibrin 0.0019 0.0199 0.022
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0199 0.5
Brugia malayi Pax transcription activation domain interacting protein 0.0019 0.0199 0.0199
Onchocerca volvulus 0.0294 0.6433 1
Schistosoma mansoni hypothetical protein 0.0143 0.3002 0.444
Loa Loa (eye worm) hypothetical protein 0.0019 0.0199 0.0199
Schistosoma mansoni chromosome transmission fidelity factor 0.0019 0.0199 0.0294
Loa Loa (eye worm) latrophilin receptor protein 2 0.0143 0.3002 0.3002
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.0199 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0019 0.0199 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0199 0.0199
Brugia malayi RNA recognition motif domain containing protein 0.0187 0.3993 0.3993
Brugia malayi Smad1 0.0017 0.014 0.014
Schistosoma mansoni DNA ligase IV 0.0019 0.0199 0.0294
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0187 0.3993 0.3993
Schistosoma mansoni tar DNA-binding protein 0.0187 0.3993 0.5906
Brugia malayi topoisomerase 0.0019 0.0199 0.0199
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0463 1
Schistosoma mansoni smad 0.0017 0.014 0.0207
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0463 0.5
Treponema pallidum DNA ligase (lig) 0.0019 0.0199 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0463 1
Echinococcus multilocularis replication factor c subunit 1 0.0019 0.0199 0.0498
Brugia malayi hypothetical protein 0.0019 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0019 0.0199 0.0199
Echinococcus multilocularis tar DNA binding protein 0.0187 0.3993 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0199 0.0199
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0463 1
Schistosoma mansoni tar DNA-binding protein 0.0187 0.3993 0.5906
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0463 0.1158
Echinococcus multilocularis nibrin 0.0019 0.0199 0.0498
Echinococcus granulosus replication factor c subunit 1 0.0019 0.0199 0.022
Loa Loa (eye worm) hypothetical protein 0.0143 0.3002 0.3002
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0019 0.0199 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0463 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.014 0.0207
Entamoeba histolytica hypothetical protein 0.0019 0.0199 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0463 0.1158
Brugia malayi latrophilin 2 splice variant baaae 0.0309 0.6761 0.6761
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.014 0.0155
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0452 1 1
Echinococcus granulosus GPCR family 2 0.0143 0.3002 0.3325
Echinococcus multilocularis smad 0.0017 0.014 0.035
Schistosoma mansoni hypothetical protein 0.0143 0.3002 0.444
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0463 0.1158
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0463 0.1158
Giardia lamblia Replication factor C, subunit 1 0.0019 0.0199 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0143 0.3002 0.3002
Onchocerca volvulus 0.0019 0.0199 0.0309
Brugia malayi MH2 domain containing protein 0.0017 0.014 0.014
Echinococcus multilocularis muscleblind protein 0.018 0.3849 0.964
Loa Loa (eye worm) transcription factor SMAD2 0.0244 0.5297 0.5297
Schistosoma mansoni hypothetical protein 0.0143 0.3002 0.444
Schistosoma mansoni hypothetical protein 0.0143 0.3002 0.444
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0199 0.5
Echinococcus multilocularis Smad4 0.0017 0.014 0.035
Loa Loa (eye worm) Smad1 0.0017 0.014 0.014
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.014 0.035
Schistosoma mansoni topbp1 0.0019 0.0199 0.0294
Echinococcus granulosus smad 0.0017 0.014 0.0155
Schistosoma mansoni topbp1 0.0019 0.0199 0.0294
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0019 0.0199 0.5
Echinococcus multilocularis muscleblind protein 1 0.018 0.3849 0.964
Loa Loa (eye worm) hypothetical protein 0.0309 0.6761 0.6761
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0463 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0143 0.3002 0.7517
Loa Loa (eye worm) MH2 domain-containing protein 0.0244 0.5297 0.5297
Loa Loa (eye worm) hypothetical protein 0.0452 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0199 0.0199
Echinococcus granulosus muscleblind protein 0.018 0.3849 0.4264
Echinococcus granulosus FTZ F1 alpha 0.0409 0.9028 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0143 0.3002 0.3325
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.014 0.035
Brugia malayi MH1 domain containing protein 0.0017 0.014 0.014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0199 0.0199
Echinococcus granulosus tar DNA binding protein 0.0187 0.3993 0.4423
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0019 0.0199 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0463 0.1158
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0463 0.0463
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0143 0.3002 0.3325
Loa Loa (eye worm) RNA binding protein 0.0187 0.3993 0.3993
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.014 0.014
Brugia malayi hypothetical protein 0.0294 0.6433 0.6433
Schistosoma mansoni smad1 5 8 and 0.0017 0.014 0.0207
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0019 0.0199 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.3849 0.3849
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0463 0.0463
Brugia malayi MH1 domain containing protein 0.0017 0.014 0.014
Schistosoma mansoni tar DNA-binding protein 0.0187 0.3993 0.5906
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0199 0.5
Schistosoma mansoni smad1 5 8 and 0.0017 0.014 0.0207
Brugia malayi Muscleblind-like protein 0.018 0.3849 0.3849
Trichomonas vaginalis replication factor C large subunit, putative 0.0019 0.0199 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0019 0.0199 0.5
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0463 1
Chlamydia trachomatis DNA ligase 0.0019 0.0199 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0199 0.5
Schistosoma mansoni hypothetical protein 0.0309 0.6761 1
Loa Loa (eye worm) hypothetical protein 0.018 0.3849 0.3849
Brugia malayi DKFZp564C0469 protein 0.0019 0.0199 0.0199
Echinococcus multilocularis GPCR, family 2 0.0143 0.3002 0.7517
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0463 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0019 0.0199 0.0199

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2617 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.5623 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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