Detailed information for compound 1604772

Basic information

Technical information
  • TDR Targets ID: 1604772
  • Name: N-[(4-methoxyphenyl)methyl]quinoxaline-2,6-di amine
  • MW: 280.324 | Formula: C16H16N4O
  • H donors: 2 H acceptors: 2 LogP: 2.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNc1cnc2c(n1)ccc(c2)N
  • InChi: 1S/C16H16N4O/c1-21-13-5-2-11(3-6-13)9-19-16-10-18-15-8-12(17)4-7-14(15)20-16/h2-8,10H,9,17H2,1H3,(H,19,20)
  • InChiKey: ZQVFJCORAHGQKA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6-aminoquinoxalin-2-yl)-(4-methoxybenzyl)amine
  • NCI60_019603
  • AIDS-141342
  • AIDS141342
  • NSC656627
  • N~2~-(4-Methoxybenzyl)-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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0069 0.0069
Echinococcus multilocularis microtubule associated protein 2 0.0652 0.3707 0.3707
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0051 0.0051
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0083 0.0401 0.295
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0051 0.0051
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0032 0.0108 0.0787
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0022 0.0051 0.0434
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0032 0.0108 0.0787
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0083 0.0401 0.295
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0083 0.0401 0.0401
Leishmania major 4-coumarate:coa ligase-like protein 0.0022 0.0051 0.005
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0211 0.1145 0.1145
Brugia malayi transcriptional regulator, Sir2 family protein 0.0014 0.0001 0.0001
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0032 0.0108 0.0107
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0051 0.0367
Loa Loa (eye worm) hypothetical protein 0.0105 0.0532 0.0532
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0401 0.295
Brugia malayi transcriptional regulator, Sir2 family protein 0.0014 0.0001 0.0001
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0211 0.1145 0.1144
Brugia malayi NAD-dependent deacetylase SIRT1 0.0105 0.0532 0.0532
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0247 0.1356 0.1355
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0012
Toxoplasma gondii isocitrate dehydrogenase 0.1737 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0022 0.0051 0.005
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0211 0.1145 0.1144
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0051
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0032 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.0025 0.0066 0.0066
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.1737 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.1737 1 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0032 0.0108 0.0107
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.1737 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0032 0.0108 0.0107
Schistosoma mansoni isocitrate dehydrogenase 0.0211 0.1145 0.1144
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0022 0.0051 0.0434
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0032 0.0108 0.0107
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0051
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0211 0.1145 0.8441
Trypanosoma brucei isocitrate dehydrogenase, putative 0.1737 1 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0032 0.0108 0.0108
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0032 0.0108 0.0107
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0018 0.5
Schistosoma mansoni intermediate filament proteins 0.0025 0.0069 0.0068
Brugia malayi intermediate filament protein 0.0025 0.0069 0.0069
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.016 0.085 0.0849
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.1737 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0105 0.0532 0.392
Loa Loa (eye worm) sirtuin 4 0.0014 0.0001 0.0001
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0211 0.1145 0.1144
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0032 0.0108 0.0107
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.1737 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Loa Loa (eye worm) isocitrate dehydrogenase 0.1737 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Schistosoma mansoni unc-13 (munc13) 0.0211 0.1145 0.1144
Loa Loa (eye worm) transcriptional regulator 0.0014 0.0001 0.0001
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0069 0.0069
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0032 0.0108 0.0107
Echinococcus granulosus lamin dm0 0.0025 0.0069 0.0068
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0247 0.1356 0.1355
Echinococcus multilocularis Zinc finger, PHD finger 0.0032 0.0108 0.0107
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.017 0.0907 0.6682
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0051 0.0434
Loa Loa (eye worm) hypothetical protein 0.0092 0.0452 0.0452
Loa Loa (eye worm) phosphatidylinositol 3 0.0197 0.1063 0.1063
Schistosoma mansoni microtubule-associated protein tau 0.0652 0.3707 0.3707
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.1737 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0083 0.0401 0.295
Toxoplasma gondii isocitrate dehydrogenase 0.1737 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0051 0.0434
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.1737 1 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.1737 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0247 0.1356 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.1737 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.016 0.085 0.085
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0018 0.0017
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0083 0.0401 0.04
Loa Loa (eye worm) hypothetical protein 0.0087 0.0426 0.0426
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0211 0.1145 0.1145
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0051 0.0051
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0032 0.0108 0.0787
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0012
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0211 0.1145 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.017 0.0907 0.6682
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0105 0.0532 0.392
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0083 0.0401 0.295
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0105 0.0532 0.8674
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0012
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0018 0.0017
Echinococcus multilocularis musashi 0.0025 0.0069 0.0068
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0058 0.0256 0.4169
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0105 0.0532 0.392
Schistosoma mansoni lamin 0.0025 0.0069 0.0068
Echinococcus granulosus lamin 0.0025 0.0069 0.0068
Brugia malayi Probable isocitrate dehydrogenase 0.0211 0.1145 0.1145
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0105 0.0532 0.0531
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0197 0.1063 0.7836
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0105 0.0532 0.0531
Entamoeba histolytica hypothetical protein 0.0197 0.1063 0.7836
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0247 0.1356 0.1355
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.1737 1 1
Loa Loa (eye worm) transcriptional regulator 0.0014 0.0001 0.0001
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0051 0.0434
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.1737 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0022 0.0051 0.005
Brugia malayi Probable isocitrate dehydrogenase 0.0211 0.1145 0.1145
Echinococcus multilocularis lamin dm0 0.0025 0.0069 0.0068
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0247 0.1356 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0069 0.0069
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.011 0.0557 0.4104
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0247 0.1356 1
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0069 0.0069
Leishmania major phosphatidylinositol 3-kinase, putative 0.0032 0.0108 0.0107
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.1737 1 1
Echinococcus multilocularis isocitrate dehydrogenase 0.1737 1 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0032 0.0108 0.0107
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0211 0.1145 0.1144
Leishmania major 4-coumarate:coa ligase-like protein 0.0022 0.0051 0.005
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0083 0.0401 0.04
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0247 0.1356 0.1355
Echinococcus multilocularis lamin 0.0025 0.0069 0.0068
Loa Loa (eye worm) hypothetical protein 0.016 0.085 0.085
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0051 0.0367
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Onchocerca volvulus 0.0025 0.0069 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0211 0.1145 0.5
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0211 0.1145 0.1144
Echinococcus granulosus intermediate filament protein 0.0025 0.0069 0.0068
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0119 0.0613 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0211 0.1145 0.8441
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0022 0.0051 0.0434
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0105 0.0532 0.392
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0247 0.1356 0.1356
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0032 0.0108 0.0787
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0032 0.0108 0.0108
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.016 0.085 0.0849
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.024 0.1314 0.9686
Schistosoma mansoni chromatin regulatory protein sir2 0.0105 0.0532 0.0531
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.0358 0.0358
Echinococcus granulosus microtubule associated protein 2 0.0652 0.3707 0.3707
Entamoeba histolytica acyl-coA synthetase, putative 0.0022 0.0051 0.0367
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0211 0.1145 0.1144
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0051 0.005
Brugia malayi transcriptional regulator, Sir2 family protein 0.0014 0.0001 0.0001
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0032 0.0108 0.0787
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.1737 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0022 0.0051 0.0434
Loa Loa (eye worm) hypothetical protein 0.0211 0.1145 0.1145
Loa Loa (eye worm) transcriptional regulator 0.0014 0.0001 0.0001
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0032 0.0108 0.0107
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0018 0.0017
Onchocerca volvulus 0.0025 0.0069 1
Mycobacterium ulcerans hypothetical protein 0.0022 0.0051 0.0434
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0032 0.0108 0.0107
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0247 0.1356 1
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0211 0.1145 0.1145
Schistosoma mansoni lamin 0.0025 0.0069 0.0068
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0032 0.0108 0.0107
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0211 0.1145 1
Brugia malayi Isocitrate dehydrogenase 0.1737 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0032 0.0108 0.0107
Leishmania major isocitrate dehydrogenase, putative 0.0211 0.1145 0.1144
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0051
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0013 0.0012
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0247 0.1356 0.1355
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0211 0.1145 0.1145
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0018 0.0147
Loa Loa (eye worm) hypothetical protein 0.0017 0.0018 0.0018
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0075 0.0358 0.0357
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0083 0.0401 0.04

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.578 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) -4.113 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 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 NCI-H23 Non-Small Cell Lung 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 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 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 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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