Detailed information for compound 1608390

Basic information

Technical information
  • TDR Targets ID: 1608390
  • Name: N-[(3,4-dimethoxyphenyl)methyl]quinoxaline-2, 6-diamine
  • MW: 310.35 | Formula: C17H18N4O2
  • H donors: 2 H acceptors: 2 LogP: 2.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNc2cnc3c(n2)ccc(c3)N)ccc1OC
  • InChi: 1S/C17H18N4O2/c1-22-15-6-3-11(7-16(15)23-2)9-20-17-10-19-14-8-12(18)4-5-13(14)21-17/h3-8,10H,9,18H2,1-2H3,(H,20,21)
  • InChiKey: JTTUHPAUYMZFGM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6-aminoquinoxalin-2-yl)-(3,4-dimethoxybenzyl)amine
  • NCI60_018450
  • AIDS-140524
  • AIDS140524
  • NSC652761
  • N~2~-(3,4-Dimethoxybenzyl)-2,6-quinoxalinediamine

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
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0152 0.0331 0.6934
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0015 0.0015
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0191 0.0436 0.0436
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0191 0.0436 0.1448
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0113 0.0114
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1118 0.2929 0.2939
Loa Loa (eye worm) hypothetical protein 0.0105 0.0206 0.0207
Loa Loa (eye worm) hypothetical protein 0.1105 0.2892 0.2903
Schistosoma mansoni protein kinase 0.2645 0.7031 0.7031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0113 0.0114
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.0331 0.7477
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0113 0.0113
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1105 0.2892 1
Schistosoma mansoni serine/threonine protein kinase 0.1118 0.2929 0.2929
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0015 0.0015
Entamoeba histolytica hypothetical protein 0.0149 0.0324 0.7317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0095 0.1803
Echinococcus multilocularis Smad4 0.0034 0.0015 0.0015
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.1118 0.2929 0.3021
Schistosoma mansoni rap gtpase-activating protein 0.1105 0.2892 0.2892
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0095 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0191 0.0436 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0095 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0095 0.1803
Echinococcus multilocularis 0.2645 0.7031 0.7252
Entamoeba histolytica hypothetical protein 0.0149 0.0324 0.7317
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.009 0.0166 0.0507
Loa Loa (eye worm) RNA binding protein 0.0071 0.0113 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.023 0.5037
Echinococcus multilocularis smad 0.0034 0.0015 0.0015
Echinococcus granulosus smad 0.0034 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0128 0.0267 0.594
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0065 0.0065
Brugia malayi MH1 domain containing protein 0.0034 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4327
Loa Loa (eye worm) hypothetical protein 0.0039 0.0028 0.0028
Loa Loa (eye worm) phosphatidylinositol 3 0.0191 0.0436 0.0438
Schistosoma mansoni protein kinase 0.3749 1 1
Loa Loa (eye worm) hypothetical protein 0.1105 0.2892 0.2903
Echinococcus granulosus Smad4 0.0034 0.0015 0.0015
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0256 0.5673
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0015 0.0015
Echinococcus granulosus microtubule associated protein 2 0.3636 0.9695 0.973
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0113 0.0113
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0191 0.0436 0.0438
Schistosoma mansoni microtubule-associated protein tau 0.3636 0.9695 0.9695
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4316
Loa Loa (eye worm) MH2 domain-containing protein 0.0502 0.1273 0.1277
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0064 0.0095 0.0095
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0191 0.0436 0.0436
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0113 0.0117
Brugia malayi Smad1 0.0034 0.0015 0.0015
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0064 0.0095 0.0095
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.0331 0.7477
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0113 0.0113
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0064 0.0095 0.0098
Loa Loa (eye worm) hypothetical protein 0.004 0.0031 0.0031
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0015 0.0015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0065 0.0066
Echinococcus granulosus tar DNA binding protein 0.0071 0.0113 0.0114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0191 0.0436 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0065 0.0066
Loa Loa (eye worm) phosphatidylinositol 3 0.0064 0.0095 0.0095
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0064 0.0095 0.0261
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0191 0.0436 0.045
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.002 0.002
Onchocerca volvulus 0.1105 0.2892 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0191 0.0436 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.0226 0.4963
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1118 0.2929 0.3021
Toxoplasma gondii target of rapamycin (TOR), putative 0.0142 0.0305 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0149 0.0324 0.0335
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0191 0.0436 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0036 0.002 0.002
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.1118 0.2929 0.2939
Brugia malayi MH2 domain containing protein 0.0502 0.1273 0.1273
Brugia malayi RNA binding protein 0.0071 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.1105 0.2892 0.2903
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1105 0.2892 0.2892
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0113 0.0113
Schistosoma mansoni vam6/vps39 related 0.1105 0.2892 0.2892
Loa Loa (eye worm) hypothetical protein 0.3736 0.9964 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0113 0.0226 0.4963
Brugia malayi Temporarily assigned gene name protein 59 0.1105 0.2892 0.2892
Schistosoma mansoni hypothetical protein 0.1105 0.2892 0.2892
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Toxoplasma gondii non-specific serine/threonine protein kinase 0.004 0.0031 0.039
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0031 0.0266
Echinococcus granulosus tumor protein p63 0.0719 0.1856 0.1863
Echinococcus granulosus serine protein kinase ATM 0.0036 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4327
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Trypanosoma cruzi target of rapamycin kinase 3 0.0152 0.0331 0.1084
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0191 0.0436 0.1448
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.1105 0.2892 0.2892
Schistosoma mansoni protein kinase 0.1118 0.2929 0.2929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0051 0.0061 0.0976
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0036 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0064 0.0095 0.0261
Schistosoma mansoni fkbp-rapamycin associated protein 0.0036 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.002
Brugia malayi hypothetical protein 0.1105 0.2892 0.2892
Echinococcus granulosus protein kinase 0.2645 0.7031 0.7056
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1118 0.2929 0.3021
Schistosoma mansoni hypothetical protein 0.0036 0.002 0.002
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0191 0.0436 0.1448
Echinococcus granulosus serine:threonine protein kinase mig 15 0.3736 0.9964 1
Schistosoma mansoni Smad4 0.0034 0.0015 0.0015
Echinococcus multilocularis tumor protein p63 0.0719 0.1856 0.1915
Echinococcus multilocularis serine protein kinase ATM 0.0036 0.002 0.0021
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0064 0.0095 0.0261
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0015 0.0015
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0079 0.0136 0.0404
Giardia lamblia GTOR 0.0191 0.0436 0.5
Schistosoma mansoni smad1 5 8 and 0.0034 0.0015 0.0015
Onchocerca volvulus 0.0105 0.0206 0.0712
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0065 0.0065
Brugia malayi TAR-binding protein 0.0071 0.0113 0.0113
Brugia malayi MH2 domain containing protein 0.0034 0.0015 0.0015
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1105 0.2892 1
Schistosoma mansoni smad 0.0034 0.0015 0.0015
Schistosoma mansoni smad1 5 8 and 0.0034 0.0015 0.0015
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.2645 0.7031 0.7056
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0191 0.0436 0.1448
Schistosoma mansoni cellular tumor antigen P53 0.0105 0.0206 0.0206
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0113 0.0113
Entamoeba histolytica hypothetical protein 0.0149 0.0324 0.7317
Brugia malayi MH1 domain containing protein 0.0034 0.0015 0.0015
Brugia malayi hypothetical protein 0.0149 0.0324 0.0324
Echinococcus granulosus Vam6:Vps39 protein 0.1105 0.2892 0.2903
Brugia malayi MH2 domain containing protein 0.0034 0.0015 0.0015
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0036 0.002 0.002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4316
Schistosoma mansoni hypothetical protein 0.0149 0.0324 0.0324
Loa Loa (eye worm) Smad1 0.0034 0.0015 0.0015
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1118 0.2929 0.2939
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.023 0.5037
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0152 0.0331 0.1084
Schistosoma mansoni serine/threonine protein kinase 0.1118 0.2929 0.2929
Loa Loa (eye worm) transcription factor SMAD2 0.0502 0.1273 0.1277
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0191 0.0436 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0095 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0163 0.0361 0.8197
Entamoeba histolytica hypothetical protein 0.0149 0.0324 0.7317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.0331 0.7477
Brugia malayi Protein kinase domain containing protein 0.1118 0.2929 0.2929
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0149 0.0324 0.0326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4327
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0191 0.0436 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0103 0.02 0.4327
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0113 0.0113
Trichomonas vaginalis PIKK family atypical protein kinase 0.0064 0.0095 0.1803
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.1105 0.2892 0.2903
Schistosoma mansoni transcription factor LCR-F1 0.0149 0.0324 0.0324
Trichomonas vaginalis PIKK family atypical protein kinase 0.0114 0.023 0.5037
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.1105 0.2892 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0142 0.0305 0.684
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.1105 0.2892 0.2983
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0015 0.0015
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0191 0.0436 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.002 0.002
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.1118 0.2929 0.2939
Schistosoma mansoni smad1 5 8 and 0.0034 0.0015 0.0015
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0064 0.0095 0.0261
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0036 0.002 0.0021
Echinococcus multilocularis microtubule associated protein 2 0.3636 0.9695 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.0331 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0152 0.0331 0.7477

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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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