Detailed information for compound 1349191

Basic information

Technical information
  • TDR Targets ID: 1349191
  • Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2 -oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quin oline-6-sulfonamide
  • MW: 470.584 | Formula: C24H30N4O4S
  • H donors: 1 H acceptors: 4 LogP: 2.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCc2c(N1)ccc(c2)S(=O)(=O)N(CC(=O)N1CCN(CC1)c1cccc(c1C)C)C
  • InChi: 1S/C24H30N4O4S/c1-17-5-4-6-22(18(17)2)27-11-13-28(14-12-27)24(30)16-26(3)33(31,32)20-8-9-21-19(15-20)7-10-23(29)25-21/h4-6,8-9,15H,7,10-14,16H2,1-3H3,(H,25,29)
  • InChiKey: NJMYZOQITZNISH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
  • N-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
  • N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-keto-ethyl]-2-keto-N-methyl-3,4-dihydro-1H-quinoline-6-sulfonamide
  • MLS000522954
  • SMR000128220

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
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
Brugia malayi hypothetical protein 0.0286 0.0874 0.0874
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0211 0.0586 0.0586
Echinococcus granulosus Dipeptidyl peptidase 9 0.0894 0.3213 0.3162
Entamoeba histolytica prolyl oligopeptidase family protein 0.0211 0.0586 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.0874 0.0857
Brugia malayi prolyl oligopeptidase family protein 0.0211 0.0586 0.0586
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0975 1
Entamoeba histolytica hypothetical protein, conserved 0.0211 0.0586 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0894 0.3213 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0078 0.0075 0.0075
Schistosoma mansoni voltage-gated potassium channel 0.0293 0.0902 0.0902
Trypanosoma cruzi oligopeptidase b 0.0211 0.0586 0.1777
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0211 0.0586 0.0566
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0211 0.0586 0.0586
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0211 0.0586 0.1777
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0211 0.0586 0.1777
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0268 0.0807 0.079
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0605 0.1027
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0211 0.0586 0.1777
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.2658 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0894 0.3213 0.3213
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.2658 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0874 0.0806
Brugia malayi prolyl oligopeptidase family protein 0.0211 0.0586 0.0586
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0268 0.0807 0.0738
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.0586 0.0566
Echinococcus granulosus acylamino acid releasing enzyme 0.0211 0.0586 0.0515
Brugia malayi Cytochrome P450 family protein 0.0063 0.0019 0.0019
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0563 0.0563
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0211 0.0586 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0211 0.0586 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.0586 0.0569
Brugia malayi hypothetical protein 0.0683 0.2403 0.2403
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0211 0.0586 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.025 0.0739 0.4274
Loa Loa (eye worm) prolyl oligopeptidase 0.2658 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0293 0.0902 0.0902
Trypanosoma brucei oligopeptidase b 0.0211 0.0586 0.1777
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.0975 0.0975
Brugia malayi prolyl oligopeptidase family protein 0.0211 0.0586 0.0586
Entamoeba histolytica prolyl oligopeptidase family protein 0.0211 0.0586 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.0671 0.0654
Loa Loa (eye worm) hypothetical protein 0.0211 0.0586 0.0569
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0894 0.3213 1
Echinococcus multilocularis acylamino acid releasing enzyme 0.0211 0.0586 0.0515
Trypanosoma cruzi prolyl endopeptidase 0.0211 0.0586 0.1777
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.2658 1 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0211 0.0586 0.5
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0211 0.0586 0.0586
Echinococcus granulosus prolyl endopeptidase 0.0211 0.0586 0.0515
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0211 0.0586 0.1777
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0894 0.3213 1
Trypanosoma brucei prolyl endopeptidase 0.0211 0.0586 0.1777
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0211 0.0586 0.0586
Onchocerca volvulus Prolyl endopeptidase homolog 0.0211 0.0586 0.0586
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0211 0.0586 0.0566
Trypanosoma brucei prolyl oligopeptidase, putative 0.0211 0.0586 0.1777
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0894 0.3213 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0874 0.0806
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.025 0.0739 0.4274
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0268 0.0807 0.0807
Loa Loa (eye worm) hypothetical protein 0.0211 0.0586 0.0569
Trypanosoma cruzi oligopeptidase b 0.0211 0.0586 0.1777
Trypanosoma cruzi hypothetical protein, conserved 0.0211 0.0586 0.1777
Leishmania major oligopeptidase b 0.0211 0.0586 0.1777
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0975 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0894 0.3213 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0975 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.0975 0.0959
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.2658 1 1
Mycobacterium tuberculosis Probable peptidase 0.0211 0.0586 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0211 0.0586 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0078 0.0075 0.0075
Giardia lamblia Alanyl dipeptidyl peptidase 0.0211 0.0586 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0894 0.3213 0.3213
Loa Loa (eye worm) prolyl oligopeptidase 0.0211 0.0586 0.0569
Loa Loa (eye worm) hypothetical protein 0.0683 0.2403 0.2389
Echinococcus multilocularis prolyl endopeptidase 0.0211 0.0586 0.0515
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0268 0.0807 0.0738
Plasmodium vivax hypothetical protein, conserved 0.0211 0.0586 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0975 1
Plasmodium falciparum peptidase, putative 0.0211 0.0586 0.5
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0211 0.0586 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0975 1
Trypanosoma cruzi hypothetical protein, conserved 0.0211 0.0586 0.1777
Loa Loa (eye worm) hypothetical protein 0.0078 0.0075 0.0056
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.0975 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0894 0.3213 0.3162
Entamoeba histolytica prolyl oligopeptidase family protein 0.0211 0.0586 0.5
Brugia malayi Cytochrome P450 family protein 0.0063 0.0019 0.0019
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0211 0.0586 0.1777
Schistosoma mansoni voltage-gated potassium channel 0.0078 0.0075 0.0075
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0605 0.1027
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0211 0.0586 0.1777
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0894 0.3213 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 25.1189 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) 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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