Detailed information for compound 1748848

Basic information

Technical information
  • TDR Targets ID: 1748848
  • Name: 2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetra hydro-6aH-pyrido[2,1-c]quinoxalin-5-yl]-N-(ph enylmethyl)acetamide
  • MW: 456.558 | Formula: C23H28N4O4S
  • H donors: 1 H acceptors: 4 LogP: 2.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)C2CCCCN2c2c1cc(cc2)S(=O)(=O)N(C)C)NCc1ccccc1
  • InChi: 1S/C23H28N4O4S/c1-25(2)32(30,31)18-11-12-19-21(14-18)27(23(29)20-10-6-7-13-26(19)20)16-22(28)24-15-17-8-4-3-5-9-17/h3-5,8-9,11-12,14,20H,6-7,10,13,15-16H2,1-2H3,(H,24,28)
  • InChiKey: CGRXJGDKHAGTOM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(benzyl)-2-[3-(dimethylsulfamoyl)-6-keto-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c]quinoxalin-5-yl]acetamide
  • 2-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c]quinoxalin-5-yl]-N-(phenylmethyl)ethanamide
  • G672-0040
  • NCGC00132737-01

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
Echinococcus granulosus zinc finger protein 0.0729 0.9113 0.9097
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0301 0.0125
Trichomonas vaginalis transmembrane protein nessy, putative 0.0069 0.0593 1
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0069 0.0593 0.0423
Loa Loa (eye worm) MBOAT family protein 0.0069 0.0593 0.0593
Trypanosoma brucei glycerol uptake protein, putative 0.0069 0.0593 1
Leishmania major glycerol uptake protein, putative 0.0069 0.0593 1
Trypanosoma cruzi GUP1, putative 0.0069 0.0593 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0069 0.0593 0.5
Treponema pallidum alginate O-acetylation protein (algI) 0.0069 0.0593 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0069 0.0593 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0593 1
Schistosoma mansoni hypothetical protein 0.0069 0.0593 0.0423
Echinococcus granulosus sterol O acyltransferase 1 0.0069 0.0593 0.0423
Trypanosoma cruzi glycerol uptake protein, putative 0.0069 0.0593 1
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0798 1 1
Loa Loa (eye worm) hhat protein 0.0069 0.0593 0.0593
Leishmania major glycerol uptake protein, putative 0.0069 0.0593 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0069 0.0593 0.0423
Loa Loa (eye worm) MBOAT family protein 0.0069 0.0593 0.0593
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0069 0.0593 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0593 0.0593
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0069 0.0593 0.0423
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0069 0.0593 0.0423
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0301 0.0125
Brugia malayi Hhat protein 0.0069 0.0593 0.0593
Loa Loa (eye worm) hhat protein 0.0069 0.0593 0.0593
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0301 0.0125
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0069 0.0593 0.0423
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0069 0.0593 0.0423
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0069 0.0593 0.0593
Trypanosoma cruzi GUP1, putative 0.0069 0.0593 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0069 0.0593 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.0069 0.0593 0.0423
Echinococcus multilocularis sterol O acyltransferase 1 0.0069 0.0593 0.0423
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0069 0.0593 0.0423
Trypanosoma brucei glycerol uptake protein, putative 0.0069 0.0593 1
Entamoeba histolytica hypothetical protein 0.0069 0.0593 1
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0593 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0301 0.0301
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0301 0.0125
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0069 0.0593 0.0423
Leishmania major glycerol uptake protein, putative 0.0069 0.0593 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0798 1 1
Leishmania major hypothetical protein, conserved 0.0069 0.0593 1
Loa Loa (eye worm) MBOAT family protein 0.0798 1 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0069 0.0593 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.03 0.3577 0.3461
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0069 0.0593 0.0423
Entamoeba histolytica hypothetical protein, conserved 0.0069 0.0593 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0069 0.0593 1
Brugia malayi MBOAT family protein 0.0069 0.0593 0.0593
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0069 0.0593 0.0423
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0069 0.0593 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0301 0.0125
Loa Loa (eye worm) hypothetical protein 0.0037 0.0178 0.0178
Echinococcus multilocularis zinc finger protein 0.0729 0.9113 0.9097
Loa Loa (eye worm) hypothetical protein 0.0069 0.0593 0.0593
Onchocerca volvulus 0.0069 0.0593 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0069 0.0593 0.0593
Leishmania major glycerol uptake protein, putative 0.0069 0.0593 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0301 0.0301
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0069 0.0593 0.0423
Leishmania major glycerol uptake protein, putative 0.0069 0.0593 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0069 0.0593 0.0423
Loa Loa (eye worm) hypothetical protein 0.0069 0.0593 0.0593
Toxoplasma gondii hypothetical protein 0.0069 0.0593 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0069 0.0593 0.0423
Trichomonas vaginalis porcupine, putative 0.0069 0.0593 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.0178 0.5
Schistosoma mansoni zinc finger protein 0.0798 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0593 0.0593
Echinococcus granulosus o acyltransferase membrane bound domain 0.0069 0.0593 0.0423
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0069 0.0593 0.0423
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.0178 0.0178
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0069 0.0593 0.0423
Brugia malayi MBOAT family protein 0.0069 0.0593 0.0593
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0069 0.0593 0.0423
Echinococcus granulosus o acyltransferase membrane bound domain 0.0069 0.0593 0.0423
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0069 0.0593 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0301 0.0125
Echinococcus granulosus tachykinin peptides receptor 99D 0.03 0.3577 0.3461
Trichomonas vaginalis conserved hypothetical protein 0.0069 0.0593 1
Brugia malayi diacylglycerol acyltransferase 0.0069 0.0593 0.0593
Entamoeba histolytica vacuolar protein sorting 26 0.0069 0.0593 1
Brugia malayi MBOAT family protein 0.0069 0.0593 0.0593
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0301 0.0125
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0069 0.0593 0.0423
Trypanosoma cruzi glycerol uptake protein, putative 0.0069 0.0593 1
Brugia malayi MBOAT family protein 0.0069 0.0593 0.0593
Echinococcus granulosus o acyltransferase membrane bound domain 0.0069 0.0593 0.0423

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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