Detailed information for compound 808523

Basic information

Technical information
  • TDR Targets ID: 808523
  • Name: N-[4-(2,2,4,6-tetramethylquinoline-1-carbonyl )phenyl]methanesulfonamide
  • MW: 384.492 | Formula: C21H24N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)C(=CC(N2C(=O)c1ccc(cc1)NS(=O)(=O)C)(C)C)C
  • InChi: 1S/C21H24N2O3S/c1-14-6-11-19-18(12-14)15(2)13-21(3,4)23(19)20(24)16-7-9-17(10-8-16)22-27(5,25)26/h6-13,22H,1-5H3
  • InChiKey: SKBLCPAMJPEQLJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[oxo-(2,2,4,6-tetramethyl-1-quinolyl)methyl]phenyl]methanesulfonamide
  • N-[4-(2,2,4,6-tetramethylquinolin-1-yl)carbonylphenyl]methanesulfonamide
  • BAS 01520456
  • N-[4-(2,2,4,6-Tetramethyl-2H-quinoline-1-carbonyl)-phenyl]-methanesulfonamide
  • CBMicro_012819
  • BIM-0012815.P001
  • A2337/0098637
  • ZINC02286146
  • EU-0006934

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0588 0.7663 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.0988 0.097
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.0988 0.3831
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0109 0.0988 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0109 0.0988 1
Schistosoma mansoni patched 1 0.0039 0.002 0.0026
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.0988 0.097
Plasmodium falciparum purine nucleoside phosphorylase 0.0109 0.0988 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Schistosoma mansoni purine nucleoside phosphorylase 0.0109 0.0988 0.1289
Schistosoma mansoni methylthioadenosine phosphorylase 0.0588 0.7663 1
Trichomonas vaginalis set domain proteins, putative 0.0221 0.2547 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0109 0.0988 0.5
Schistosoma mansoni uridine phosphorylase 0.0109 0.0988 0.1289
Echinococcus granulosus methylthioadenosine phosphorylase 0.0588 0.7663 1
Onchocerca volvulus 0.0221 0.2547 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Toxoplasma gondii Purine nucleoside phosphorylase 0.0109 0.0988 0.5
Brugia malayi MTAP 0.0588 0.7663 0.9229
Brugia malayi Angiotensin-converting enzyme family protein 0.0634 0.8301 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0588 0.7663 0.7658
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0109 0.0988 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Entamoeba histolytica hypothetical protein 0.0109 0.0988 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.0988 0.097
Echinococcus granulosus expressed conserved protein 0.0086 0.0672 0.0853
Schistosoma mansoni purine nucleoside phosphorylase 0.0109 0.0988 0.1289
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0194 0.2173 0.2601
Schistosoma mansoni methylthioadenosine phosphorylase 0.0109 0.0988 0.1289
Echinococcus multilocularis uridine phosphorylase 1 0.0109 0.0988 0.097
Schistosoma mansoni methylthioadenosine phosphorylase 0.0588 0.7663 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.075 0.0881
Brugia malayi Pre-SET motif family protein 0.0194 0.2173 0.2601
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0109 0.0988 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0588 0.7663 1
Echinococcus granulosus Niemann Pick C1 protein 0.0092 0.075 0.0955
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Echinococcus multilocularis Niemann Pick C1 protein 0.0131 0.1298 0.1281
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.0988 0.097
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.0988 0.097
Treponema pallidum pfs protein (pfs) 0.0109 0.0988 0.5
Schistosoma mansoni uridine phosphorylase 0.0109 0.0988 0.1289
Echinococcus multilocularis protein dispatched 1 0.0045 0.0097 0.0078
Echinococcus multilocularis Niemann Pick C1 protein 0.0092 0.075 0.0731
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0109 0.0988 0.3831
Giardia lamblia UPL-1 0.0109 0.0988 0.5
Mycobacterium leprae probable uridine phosphorylase 0.0109 0.0988 0.5
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0634 0.8301 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0109 0.0988 0.097
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0109 0.0988 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0588 0.7663 1
Treponema pallidum uridine phosphorylase (udp) 0.0109 0.0988 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0109 0.0988 1
Echinococcus granulosus Niemann Pick C1 protein 0.0131 0.1298 0.1673
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0109 0.0988 1
Brugia malayi uridine phosphorylase family protein 0.0109 0.0988 0.1169
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0109 0.0988 1
Toxoplasma gondii phosphorylase family protein 0.0109 0.0988 0.5
Chlamydia trachomatis AMP nucleosidase 0.0109 0.0988 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0588 0.7663 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0109 0.0988 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0143 0.0149
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0588 0.7663 0.9229
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.0988 0.3831
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0109 0.0988 0.1169
Brugia malayi Niemann-Pick C1 protein precursor 0.0092 0.075 0.0881
Leishmania major methylthioadenosine phosphorylase, putative 0.0588 0.7663 1
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0479 0.6146 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0109 0.0988 0.3831
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0093 0.0769 0.1004
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0109 0.0988 0.5
Toxoplasma gondii phosphorylase family protein 0.0109 0.0988 0.5
Echinococcus granulosus uridine phosphorylase 1 0.0109 0.0988 0.1267
Echinococcus granulosus purine nucleoside phosphorylase 0.0109 0.0988 0.1267
Loa Loa (eye worm) uridine phosphorylase 0.0109 0.0988 0.1169
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0109 0.0988 0.5
Echinococcus multilocularis expressed conserved protein 0.0086 0.0672 0.0654

Activities

No activities found for this compound.

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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