Detailed information for compound 1489962

Basic information

Technical information
  • TDR Targets ID: 1489962
  • Name: 2,5-dimethoxy-4-(4-methoxyphenyl)diazenylanil ine
  • MW: 287.314 | Formula: C15H17N3O3
  • H donors: 1 H acceptors: 0 LogP: 2.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N=Nc1cc(OC)c(cc1OC)N
  • InChi: 1S/C15H17N3O3/c1-19-11-6-4-10(5-7-11)17-18-13-9-14(20-2)12(16)8-15(13)21-3/h4-9H,16H2,1-3H3
  • InChiKey: KMJBPEQRGGCBKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,5-dimethoxy-4-(4-methoxyphenyl)azo-aniline
  • 2,5-dimethoxy-4-(4-methoxyphenyl)azoaniline
  • [2,5-dimethoxy-4-(4-methoxyphenyl)azo-phenyl]amine
  • 2,5-dimethoxy-4-(4-methoxyphenyl)diazenyl-aniline
  • 6300-12-5
  • NSC45531

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
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
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
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
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
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 Putative folylpolyglutamate synthase 0.0136 0.0386 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Mycobacterium leprae PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE) 0.2148 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.034 0.1359 0.5
Mycobacterium ulcerans UDP-N-acetylenolpyruvoylglucosamine reductase 0.2148 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.034 0.1359 0.5
Treponema pallidum UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD) 0.041 0.1695 0.0389
Brugia malayi FolC bifunctional protein 0.0136 0.0386 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0136 0.0386 0.5
Echinococcus granulosus microtubule associated protein 2 0.0802 0.3567 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl tripeptide synthase 0.041 0.1695 0.1361
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0166 0.0529 0.0149
Echinococcus multilocularis microtubule associated protein 2 0.0802 0.3567 1
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0136 0.0386 0.1082
Mycobacterium tuberculosis Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase) 0.2148 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Mycobacterium tuberculosis Probable UDP-N-acetylmuramate-alanine ligase MurC 0.0923 0.4145 0.391
Leishmania major folylpolyglutamate synthetase 0.0136 0.0386 0.5
Treponema pallidum folylpolyglutamate synthetase (folC) 0.041 0.1695 0.0389
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0136 0.0386 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.034 0.1359 0.5
Chlamydia trachomatis UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminoligase 0.0803 0.3574 0.2263
Mycobacterium leprae ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.0803 0.3574 0.3316
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0136 0.0386 0.5
Chlamydia trachomatis bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase 0.1726 0.7983 0.7572
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase 0.0803 0.3574 0.3316
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl pentapeptide synthase 0.0803 0.3574 0.3316
Loa Loa (eye worm) FolC protein 0.0136 0.0386 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0166 0.0529 0.0149
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.041 0.1695 0.1361
Mycobacterium ulcerans UDP-N-acetylmuramate--L-alanine ligase 0.1726 0.7983 0.7902
Schistosoma mansoni folylpolyglutamate synthase 0.0136 0.0386 0.1082
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylenolpyruvoylglucosamine reductase 0.2148 1 1
Treponema pallidum UDP-N-acetylenolpyruvoylglucosamine reductase 0.2148 1 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramate-alanine ligase 0.1726 0.7983 0.7902
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF) 0.0803 0.3574 0.2564
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0136 0.0386 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0136 0.0386 0.1082
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.0803 0.3574 0.3316
Trypanosoma cruzi folylpolyglutamate synthetase 0.0136 0.0386 0.5
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.041 0.1695 0.1361
Treponema pallidum UDP-N-acetylmuramate--L-alanine ligase 0.1726 0.7983 0.7666
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.0803 0.3574 0.3316
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.041 0.1695 0.1361
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0136 0.0386 0.1082
Mycobacterium leprae Probable UDP-N-acetylmuramate-alanine ligase MurC 0.0923 0.4145 0.391
Mycobacterium ulcerans UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase 0.041 0.1695 0.1361
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0166 0.0529 0.0149
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE) 0.0803 0.3574 0.2564
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0136 0.0386 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0802 0.3567 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.034 0.1359 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0136 0.0386 0.1082

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 35.23 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 35.346 uM PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.