Detailed information for compound 1204921

Basic information

Technical information
  • TDR Targets ID: 1204921
  • Name: 1-[4-oxo-6-[(4-propan-2-ylphenyl)sulfamoyl]1H -quinoline-3-carbonyl]piperidine-4-carboxamid e
  • MW: 496.579 | Formula: C25H28N4O5S
  • H donors: 3 H acceptors: 6 LogP: 2.87 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1CCN(CC1)C(=O)c1cnc2c(c1O)cc(cc2)S(=O)(=O)Nc1ccc(cc1)C(C)C
  • InChi: 1S/C25H28N4O5S/c1-15(2)16-3-5-18(6-4-16)28-35(33,34)19-7-8-22-20(13-19)23(30)21(14-27-22)25(32)29-11-9-17(10-12-29)24(26)31/h3-8,13-15,17,28H,9-12H2,1-2H3,(H2,26,31)(H,27,30)
  • InChiKey: HRQMMHRMQOAVIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[6-[(4-isopropylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carbonyl]piperidine-4-carboxamide
  • 1-[[6-[(4-isopropylphenyl)sulfamoyl]-4-oxo-1H-quinolin-3-yl]-oxomethyl]-4-piperidinecarboxamide
  • 1-[6-[(4-isopropylphenyl)sulfamoyl]-4-keto-1H-quinoline-3-carbonyl]isonipecotamide
  • 1-[[4-oxo-6-[(4-propan-2-ylphenyl)sulfamoyl]-1H-quinolin-3-yl]carbonyl]piperidine-4-carboxamide
  • EU-0031516
  • 1-[(6-{[(4-isopropylphenyl)amino]sulfonyl}-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl]piperidine-4-carboxamide
  • MLS000046689
  • SMR000032700
  • MLS000862962

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Echinococcus multilocularis dna polymerase eta 0.0077 0.9658 0.9624
Schistosoma mansoni hypothetical protein 0.0038 0.3859 0.3859
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 1 1
Leishmania major DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Entamoeba histolytica recQ family helicase, putative 0.0022 0.1564 0.1564
Loa Loa (eye worm) hypothetical protein 0.0014 0.0484 0.0484
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.497 1
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.5172 1
Leishmania major DNA polymerase eta, putative 0.0045 0.497 0.4714
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.6397 0.6214
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.1564 0.0716
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 1 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.1564 0.0716
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.1564 0.0716
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0047 0.5172 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0047 0.5172 1
Echinococcus multilocularis dna polymerase kappa 0.0047 0.5172 0.4687
Treponema pallidum ATP-dependent DNA helicase 0.0011 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.6397 0.6397
Leishmania major DNA polymerase eta, putative 0.0077 0.9658 0.9641
Giardia lamblia DINP protein human, muc B family 0.0047 0.5172 1
Schistosoma mansoni DNA polymerase eta 0.0077 0.9658 0.9658
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.497 0.4714
Echinococcus granulosus dna polymerase eta 0.0077 0.9658 0.9624
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0047 0.5172 0.5172
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 1 1
Echinococcus multilocularis bloom syndrome protein 0.0022 0.1564 0.0716
Echinococcus granulosus transcription factor Dp 1 0.0046 0.5104 0.4612
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0913 0.045
Echinococcus granulosus bloom syndrome protein 0.0022 0.1564 0.0716
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3062 0.2709
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.3859 0.3546
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0047 0.5172 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Loa Loa (eye worm) hypothetical protein 0.0038 0.3859 0.3859
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1564 0.1135
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Loa Loa (eye worm) hypothetical protein 0.0077 0.9658 0.9658
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.5172 0.4926
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 1 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0014 0.0484 0.0974
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 1 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0913 0.045
Schistosoma mansoni hypothetical protein 0.0017 0.0913 0.0913
Schistosoma mansoni DNA polymerase IV / kappa 0.0014 0.0484 0.0484
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1564 0.3146
Loa Loa (eye worm) RecQ helicase 0.0022 0.1564 0.1564
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0047 0.5172 0.4687
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0014 0.0484 0.0974
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.9658 0.9641
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0047 0.5172 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.1564 0.1135
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.5104 0.4612
Loa Loa (eye worm) hypothetical protein 0.0055 0.6397 0.6397
Trypanosoma brucei unspecified product 0.0032 0.3062 0.2709
Trypanosoma brucei unspecified product 0.0047 0.5172 0.4926
Echinococcus granulosus dna polymerase kappa 0.0047 0.5172 0.4687
Brugia malayi ImpB/MucB/SamB family protein 0.0047 0.5172 0.4926
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.1564 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1564 0.1135
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.1564 0.3146
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.1564 0.1564
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0913 0.0913
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.6397 0.6214
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3062 0.2709
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.3062 0.2709
Schistosoma mansoni terminal deoxycytidyl transferase 0.0047 0.5172 0.5172
Trypanosoma brucei unspecified product 0.0032 0.3062 0.2709
Entamoeba histolytica deoxycytidyl transferase, putative 0.0047 0.5172 0.5172
Schistosoma mansoni hypothetical protein 0.0017 0.0913 0.0913
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.5172 0.4926
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.9658 0.9641
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.9658 0.9641
Loa Loa (eye worm) hypothetical protein 0.0017 0.0913 0.0913
Trypanosoma brucei DNA polymerase IV, putative 0.0047 0.5172 0.4926
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.1564 0.1135
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Schistosoma mansoni DNA helicase recq1 0.0022 0.1564 0.1564
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0047 0.5172 0.5172
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0047 0.5172 0.4926
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.1564 0.1135
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.1564 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.5172 0.5
Giardia lamblia Sgs1 DNA helicase, putative 0.0022 0.1564 0.2303
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.5172 0.4926
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.1564 0.1135
Schistosoma mansoni hypothetical protein 0.0017 0.0913 0.0913
Schistosoma mansoni hypothetical protein 0.0017 0.0913 0.0913
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0047 0.5172 0.4687
Loa Loa (eye worm) hypothetical protein 0.0022 0.1564 0.1564
Plasmodium vivax DNA repair protein REV1, putative 0.0014 0.0484 1
Schistosoma mansoni DNA helicase recq5 0.0022 0.1564 0.1564
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.1564 0.0716

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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