Detailed information for compound 1381934

Basic information

Technical information
  • TDR Targets ID: 1381934
  • Name: N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)eth yl]-2,4,6-trimethylbenzenesulfonamide
  • MW: 398.518 | Formula: C22H26N2O3S
  • H donors: 2 H acceptors: 3 LogP: 4.09 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(c1)C)S(=O)(=O)NCCc1cc2cc(C)c(cc2[nH]c1=O)C
  • InChi: 1S/C22H26N2O3S/c1-13-8-16(4)21(17(5)9-13)28(26,27)23-7-6-18-12-19-10-14(2)15(3)11-20(19)24-22(18)25/h8-12,23H,6-7H2,1-5H3,(H,24,25)
  • InChiKey: QNGSVJCDUFSMRU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethyl-benzenesulfonamide
  • N-[2-(2-keto-6,7-dimethyl-1H-quinolin-3-yl)ethyl]-2,4,6-trimethyl-benzenesulfonamide
  • C279-0809
  • NCGC00107159-01
  • EU-0058387

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 membrane bound transcription factor site 1 0.0153 0.0314 0.031
Loa Loa (eye worm) hypothetical protein 0.1402 0.385 0.3848
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Loa Loa (eye worm) subtilase 0.0153 0.0314 0.031
Toxoplasma gondii subtilisin SUB10 0.0153 0.0314 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0004 0.014
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0004 0.0004
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0844 0.2271 0.2271
Loa Loa (eye worm) hypothetical protein 0.006 0.005 0.0046
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0009 0.0009
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0692 0.1839 0.3043
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Loa Loa (eye worm) proprotein convertase 2 0.0844 0.2271 0.2268
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0844 0.2271 0.3761
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0153 0.0314 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0009 0.0009
Schistosoma mansoni tyrosine kinase 0.0722 0.1924 0.1924
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0004 0.0004
Toxoplasma gondii subtilisin SUB6 0.0153 0.0314 1
Onchocerca volvulus 0.0303 0.074 1
Brugia malayi proprotein convertase 2 0.2247 0.624 0.6238
Giardia lamblia High cysteine membrane protein Group 2 0.1329 0.3641 1
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0153 0.0314 0.0385
Brugia malayi Subtilase family protein 0.0153 0.0314 0.031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0009 0.0005
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0153 0.0314 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0844 0.2271 0.3761
Schistosoma mansoni hypothetical protein 0.0692 0.1839 0.1839
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0099 0.016 0.0194
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0153 0.0314 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0009 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Brugia malayi celfurPC protein 0.2884 0.8043 0.8042
Loa Loa (eye worm) hypothetical protein 0.3575 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.3575 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Plasmodium vivax subtilisin-like protease 1 0.0153 0.0314 1
Echinococcus multilocularis neuroendocrine convertase 2 0.2247 0.624 0.7757
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Brugia malayi Steroid receptor seven-up type 2 0.0099 0.016 0.0156
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0289 0.0285
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0009 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Loa Loa (eye worm) nuclear hormone receptor 0.0093 0.0146 0.0141
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Toxoplasma gondii subtilisin SUB4 0.0153 0.0314 1
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0153 0.0314 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0844 0.2271 0.3761
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0289 0.0285
Loa Loa (eye worm) hypothetical protein 0.0153 0.0314 0.031
Trypanosoma cruzi subtilisin peptidase 0.0153 0.0314 1
Toxoplasma gondii subtilisin SUB11 0.0153 0.0314 1
Echinococcus granulosus Furin 1 0.0844 0.2271 0.2268
Onchocerca volvulus 0.006 0.005 0.0625
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0844 0.2271 0.3761
Leishmania major subtilisin-like serine peptidase 0.0153 0.0314 1
Onchocerca volvulus 0.0153 0.0314 0.4209
Brugia malayi MH2 domain containing protein 0.0144 0.0289 0.0285
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0153 0.0314 0.4666
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0844 0.2271 0.3761
Loa Loa (eye worm) hypothetical protein 0.0094 0.0147 0.0143
Echinococcus granulosus epidermal growth factor receptor 0.0722 0.1924 0.192
Trichomonas vaginalis hypothetical protein 0.0692 0.1839 0.3043
Brugia malayi neuroendocrine convertase 1 precursor 0.2247 0.624 0.6238
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0692 0.1839 0.3043
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0153 0.0314 1
Toxoplasma gondii subtilisin SUB5 0.0153 0.0314 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Echinococcus multilocularis 0.2884 0.8043 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0153 0.0314 0.0314
Echinococcus multilocularis epidermal growth factor receptor 0.0722 0.1924 0.2388
Toxoplasma gondii subtilisin SUB12 0.0153 0.0314 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0009 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2173 0.6031 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0692 0.1839 0.3043
Echinococcus granulosus furin 0.3575 1 1
Echinococcus multilocularis tumor protein p63 0.0408 0.1036 0.1284
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Brugia malayi Furin-like cysteine rich region family protein 0.0722 0.1924 0.192
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.2173 0.6031 0.6029
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0153 0.0314 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0009 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0314 0.0513
Mycobacterium leprae Possible secreted protease 0.0153 0.0314 1
Plasmodium falciparum subtilisin-like protease 1 0.0153 0.0314 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0153 0.0314 0.0314
Toxoplasma gondii subtilisin SUB8 0.0153 0.0314 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0009 0.0006
Toxoplasma gondii subtilisin SUB2 0.0153 0.0314 1
Toxoplasma gondii subtilisin SUB1 0.0153 0.0314 1
Echinococcus multilocularis membrane bound transcription factor site 1 0.0153 0.0314 0.0385
Loa Loa (eye worm) TK/EGFR protein kinase 0.0722 0.1924 0.192
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0153 0.0314 0.031
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0153 0.0314 0.031
Plasmodium vivax subtilisin-like serine protease, putative 0.0153 0.0314 1
Echinococcus granulosus tumor protein p63 0.0408 0.1036 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Loa Loa (eye worm) endoprotease bli-4 0.3575 1 1
Echinococcus multilocularis Furin 1 0.0844 0.2271 0.282
Toxoplasma gondii subtilisin SUB7 0.0153 0.0314 1
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0153 0.0314 0.4666
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0314 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.2173 0.6031 1
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0153 0.0314 1
Schistosoma mansoni site-1 peptidase (S08 family) 0.0153 0.0314 0.0314
Plasmodium falciparum subtilisin-like protease 2 0.0153 0.0314 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0009 0.0006
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.2173 0.6031 0.7497
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0668 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Toxoplasma gondii subtilisin SUB9 0.0153 0.0314 1
Echinococcus granulosus neuroendocrine convertase 2 0.2247 0.624 0.6238
Plasmodium falciparum subtilisin-like protease 3 0.0153 0.0314 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0153 0.0314 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0153 0.0314 0.4666
Trichomonas vaginalis conserved hypothetical protein 0.0692 0.1839 0.3043
Schistosoma mansoni furin-1 (S08 family) 0.1555 0.4283 0.4283
Schistosoma mansoni cellular tumor antigen P53 0.006 0.005 0.005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0153 0.0314 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0153 0.0314 0.031
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0153 0.0314 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0844 0.2271 0.3761
Trypanosoma brucei subtilisin peptidase 0.0153 0.0314 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0153 0.0314 0.0314
Plasmodium vivax subtilisin-like protease 2, putative 0.0153 0.0314 1
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0153 0.0314 0.4666
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0099 0.016 0.0156
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.0314 0.0513

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 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

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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