Detailed information for compound 1179404

Basic information

Technical information
  • TDR Targets ID: 1179404
  • Name: 2,3,5,6,7,8-hexamethylquinoxaline
  • MW: 214.306 | Formula: C14H18N2
  • H donors: 0 H acceptors: 2 LogP: 3.47 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2c(nc1C)c(C)c(c(c2C)C)C
  • InChi: 1S/C14H18N2/c1-7-8(2)10(4)14-13(9(7)3)15-11(5)12(6)16-14/h1-6H3
  • InChiKey: QRQNHYFISFAVPV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000833838
  • SMR000457559
  • ZINC00138568

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0024 0.0024
Echinococcus granulosus pyruvate kinase 0.1296 0.4995 0.4995
Echinococcus multilocularis pyruvate kinase 0.1993 0.7833 0.7833
Mycobacterium ulcerans glutaminase 0.0293 0.0911 0.0889
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0109 0.0161 0.0161
Schistosoma mansoni transcription factor LCR-F1 0.0109 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0076 0.0024 0.0024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.293 0.293
Brugia malayi pyruvate kinase 0.0532 0.1883 0.1883
Loa Loa (eye worm) hypothetical protein 0.0076 0.0024 0.0024
Trypanosoma brucei hypothetical protein, conserved 0.0076 0.0024 0.0024
Echinococcus granulosus pyruvate kinase 0.1296 0.4995 0.4995
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0109 0.0161 0.0161
Brugia malayi beta-lactamase family protein 0.0076 0.0024 0.0024
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0024 0.0024
Echinococcus multilocularis pyruvate kinase 0.1296 0.4995 0.4995
Echinococcus multilocularis geminin 0.0205 0.055 0.055
Trypanosoma cruzi hypothetical protein, conserved 0.0076 0.0024 0.0024
Echinococcus granulosus pyruvate kinase 0.1296 0.4995 0.4995
Echinococcus granulosus geminin 0.0205 0.055 0.055
Loa Loa (eye worm) hypothetical protein 0.0076 0.0024 0.0024
Entamoeba histolytica hypothetical protein 0.0109 0.0161 0.0234
Entamoeba histolytica hypothetical protein 0.0109 0.0161 0.0234
Entamoeba histolytica pyruvate kinase, putative 0.1761 0.6888 1
Echinococcus multilocularis pyruvate kinase 0.1296 0.4995 0.4995
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0483 0.1683 0.1663
Echinococcus multilocularis pyruvate kinase 0.1296 0.4995 0.4995
Loa Loa (eye worm) glutaminase 2 0.0293 0.0911 0.0911
Schistosoma mansoni hypothetical protein 0.0205 0.055 0.055
Loa Loa (eye worm) hypothetical protein 0.1761 0.6888 0.6888
Trichomonas vaginalis glutaminase, putative 0.0293 0.0911 0.0889
Brugia malayi hypothetical protein 0.0109 0.0161 0.0161
Brugia malayi beta-lactamase 0.0076 0.0024 0.0024
Plasmodium vivax pyruvate kinase 2, putative 0.1296 0.4995 0.4983
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0076 0.0024 0.0024
Echinococcus granulosus beta LACTamase domain containing family member 0.0076 0.0024 0.0024
Toxoplasma gondii pyruvate kinase PyKII 0.1296 0.4995 0.4983
Loa Loa (eye worm) beta-lactamase 0.0076 0.0024 0.0024
Brugia malayi pyruvate kinase, muscle isozyme 0.0532 0.1883 0.1883
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0076 0.0024 0.0024
Entamoeba histolytica hypothetical protein 0.0109 0.0161 0.0234
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0076 0.0024 0.0024
Echinococcus multilocularis beta LACTamase domain containing family member 0.0076 0.0024 0.0024
Brugia malayi glutaminase DH11.1 0.0293 0.0911 0.0911
Leishmania major hypothetical protein, conserved 0.0076 0.0024 0.0024
Loa Loa (eye worm) pyruvate kinase 0.0532 0.1883 0.1883
Schistosoma mansoni glutaminase 0.0293 0.0911 0.0911
Entamoeba histolytica hypothetical protein 0.0109 0.0161 0.0234
Loa Loa (eye worm) glutaminase 0.0293 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0076 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0076 0.0024 0.0024
Schistosoma mansoni hypothetical protein 0.0205 0.055 0.055
Brugia malayi beta-lactamase family protein 0.0076 0.0024 0.0024
Schistosoma mansoni pyruvate kinase 0.1296 0.4995 0.4995
Loa Loa (eye worm) hypothetical protein 0.0076 0.0024 0.0024
Loa Loa (eye worm) pyruvate kinase-PB 0.1761 0.6888 0.6888
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0764 0.2828 0.2828
Schistosoma mansoni hypothetical protein 0.0109 0.0161 0.0161

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.636 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.3078 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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