Detailed information for compound 1327195

Basic information

Technical information
  • TDR Targets ID: 1327195
  • Name: 2,3-dichloro-6,7-dimethylquinoxaline
  • MW: 227.09 | Formula: C10H8Cl2N2
  • H donors: 0 H acceptors: 2 LogP: 3.86 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2nc(Cl)c(nc2cc1C)Cl
  • InChi: 1S/C10H8Cl2N2/c1-5-3-7-8(4-6(5)2)14-10(12)9(11)13-7/h3-4H,1-2H3
  • InChiKey: NKBSIBTVPNHSIK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-dichloro-6,7-dimethyl-quinoxaline
  • ST5137593
  • ZINC02568913
  • MLS000516582
  • SMR000342715

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0022 0.0131 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0131 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0022 0.0131 0.5
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0022 0.0131 0.0144
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1579 0.1598
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0022 0.0131 0.5
Leishmania major fatty acid transporter protein-like protein 0.0228 0.906 1
Onchocerca volvulus 0.0022 0.0131 0.5
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0022 0.0131 0.0144
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1579 0.1598
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1579 0.1598
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0022 0.0131 0.5
Echinococcus granulosus long chain fatty acid transport protein 4 0.0231 0.9191 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0131 0.0144
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0022 0.0131 0.5
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0131 0.0144
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0131 0.0144
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1579 0.1467
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.025 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0228 0.906 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0231 0.9191 1
Schistosoma mansoni FFA transport protein 0.0231 0.9191 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1579 0.1598
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0022 0.0131 0.0144
Onchocerca volvulus 0.0022 0.0131 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1579 0.1598
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0228 0.906 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1579 0.1467
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0022 0.0131 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1579 0.1598
Plasmodium vivax acetyl-CoA synthetase, putative 0.0022 0.0131 0.5
Onchocerca volvulus 0.0022 0.0131 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1579 0.1598
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0022 0.0131 0.0144
Toxoplasma gondii propionate-CoA ligase 0.0022 0.0131 0.5
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0022 0.0131 0.5
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0231 0.9191 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0131 0.0144
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0022 0.0131 0.0144
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0022 0.0131 0.0144
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0231 0.9191 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0131 0.0144
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.0131 0.5
Onchocerca volvulus 0.0022 0.0131 0.5
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0022 0.0131 0.0144
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0022 0.0131 0.5
Trichomonas vaginalis antibiotic synthetase, putative 0.0022 0.0131 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.025 1 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0022 0.0131 0.0144
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0131 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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