Detailed information for compound 410542

Basic information

Technical information
  • TDR Targets ID: 410542
  • Name: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxy phenyl)-1,3,5-triazin-2-amine
  • MW: 430.459 | Formula: C23H22N6O3
  • H donors: 2 H acceptors: 4 LogP: 4.23 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cc(cc1OC)Nc1ncnc(n1)c1cccnc1Nc1ccccc1
  • InChi: 1S/C23H22N6O3/c1-30-18-12-16(13-19(31-2)20(18)32-3)28-23-26-14-25-22(29-23)17-10-7-11-24-21(17)27-15-8-5-4-6-9-15/h4-14H,1-3H3,(H,24,27)(H,25,26,28,29)
  • InChiKey: YRSYWYSGZPRSOP-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(2-anilino-3-pyridyl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
  • 4-(2-phenylazanylpyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
  • [4-(2-anilino-3-pyridyl)-s-triazin-2-yl]-(3,4,5-trimethoxyphenyl)amine
  • 4-[2-(phenylamino)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
  • 4-[2-(phenylamino)-3-pyridyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
  • [4-[2-(phenylamino)-3-pyridyl]-s-triazin-2-yl]-(3,4,5-trimethoxyphenyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TEK tyrosine kinase, endothelial Starlite/ChEMBL References
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320

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) hypothetical protein 0.0036 0.1143 0.1436
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0068 0.2649 0.4289
Echinococcus granulosus FTZ F1 alpha 0.0145 0.6176 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.1143 0.1436
Echinococcus multilocularis Immunoglobulin 0.0011 0.0017 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0145 0.6176 0.7758
Brugia malayi tailless protein 0.0068 0.2649 0.3328
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.2118 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0068 0.2649 0.3328
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0145 0.6176 0.7758
Brugia malayi hypothetical protein 0.0016 0.0216 0.0272
Brugia malayi nuclear hormone receptor family member nhr-6 0.0068 0.2649 0.3328
Onchocerca volvulus 0.0145 0.6176 0.8035
Schistosoma mansoni nuclear hormone receptor 0.0068 0.2649 0.4289
Brugia malayi nuclear receptor RXR 0.0077 0.3027 0.3802
Brugia malayi Nuclear hormone receptor-like 1 0.0077 0.3027 0.3802
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Brugia malayi photoreceptor-specific nuclear receptor 0.0145 0.6176 0.7758
Schistosoma mansoni steroid hormone receptor ad4bp 0.0145 0.6176 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0145 0.6176 0.8035
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0185 0.03
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0021
Loa Loa (eye worm) hypothetical protein 0.0077 0.3027 0.3802
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0145 0.6176 0.7758
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0068 0.2649 0.4289
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0068 0.2649 0.4289
Brugia malayi Nuclear hormone receptor-like 1 0.0077 0.3027 0.3802
Echinococcus multilocularis neuroglian 0.0014 0.0149 0.0241
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1143 0.5
Brugia malayi ecdysteroid receptor 0.0145 0.6176 0.7758
Echinococcus granulosus thyroid hormone receptor alpha 0.0068 0.2649 0.4289
Onchocerca volvulus 0.0068 0.2649 0.2404
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0145 0.6176 0.7758
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0068 0.2649 0.4289
Schistosoma mansoni RAR-like nuclear receptor 0.0145 0.6176 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0068 0.2649 0.2404
Brugia malayi Nuclear hormone receptor E75 0.0068 0.2649 0.3328
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0145 0.6176 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0145 0.6176 0.8035
Echinococcus granulosus Nuclear hormone receptor HR96 0.0068 0.2649 0.4289
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.1942 0.244
Brugia malayi hypothetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) hypothetical protein 0.0018 0.0317 0.0399
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.2118 0.2661
Loa Loa (eye worm) hypothetical protein 0.0018 0.0317 0.0399
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2118 1
Brugia malayi Nuclear hormone receptor-like 1 0.0145 0.6176 0.7758
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0216 0.0272
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0077 0.3027 0.4901
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0068 0.2649 0.2404
Loa Loa (eye worm) steroid hormone receptor 0.0145 0.6176 0.7758
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0145 0.6176 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0017 0.0027
Loa Loa (eye worm) hypothetical protein 0.0036 0.1143 0.1436
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1143 0.1851
Loa Loa (eye worm) hypothetical protein 0.0016 0.0216 0.0272
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.1143 0.1851
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2118 0.343
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1143 0.5
Brugia malayi nuclear hormone receptor family member odr-7 0.0068 0.2649 0.3328
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0077 0.3027 0.3802
Brugia malayi Nuclear hormone receptor E75 0.0068 0.2649 0.3328
Brugia malayi nuclear receptor NHR-67 0.0068 0.2649 0.3328
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0145 0.6176 0.7758
Brugia malayi hypothetical protein 0.0077 0.3027 0.3802
Schistosoma mansoni zinc finger protein 0.0068 0.2649 0.4289
Schistosoma mansoni nephrin 0.0018 0.0348 0.0564
Brugia malayi nuclear receptor NHR-88 0.0145 0.6176 0.7758
Mycobacterium leprae Probable lipase LipE 0.0036 0.1143 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1143 0.1436
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0145 0.6176 0.7758
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0184 0.7961 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Echinococcus multilocularis thyroid hormone receptor alpha 0.0145 0.6176 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3027 0.3802
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0145 0.6176 1
Brugia malayi ecdysone receptor 0.0068 0.2649 0.3328
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0068 0.2649 0.4289
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Brugia malayi hypothetical protein 0.0077 0.3027 0.3802
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2118 0.343
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) nuclear hormone receptor 0.0068 0.2649 0.3328
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) hypothetical protein 0.0036 0.1143 0.1436
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Loa Loa (eye worm) hypothetical protein 0.0016 0.0216 0.0272
Brugia malayi Fibronectin type III domain containing protein 0.0016 0.0216 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0145 0.6176 0.7758
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0068 0.2649 0.4289
Brugia malayi Steroid receptor seven-up type 2 0.0145 0.6176 0.7758
Brugia malayi conserved hypotetical protein 0.0068 0.2649 0.3328
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0145 0.6176 0.7758
Loa Loa (eye worm) hypothetical protein 0.0036 0.1143 0.1436
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0145 0.6176 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0145 0.6176 0.7758
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.1143 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0184 0.7961 1
Brugia malayi nuclear receptor RXR 0.0068 0.2649 0.3328
Echinococcus granulosus roundabout 2 0.0022 0.0517 0.0837
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0068 0.2649 0.4289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0145 0.6176 0.7758
Echinococcus granulosus Nuclear hormone receptor HR96 0.0068 0.2649 0.4289
Schistosoma mansoni coup transcription factor 0.0145 0.6176 1
Toxoplasma gondii ABC1 family protein 0.0036 0.1143 0.5
Brugia malayi nuclear receptor NHR-88 0.0068 0.2649 0.3328
Brugia malayi beta-lactamase family protein 0.0036 0.1143 0.1436
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0145 0.6176 1
Schistosoma mansoni nuclear receptor 0.0068 0.2649 0.4289
Brugia malayi beta-lactamase family protein 0.0036 0.1143 0.1436
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0077 0.3027 0.4901
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0145 0.6176 0.7758
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0077 0.3027 0.4901
Schistosoma mansoni nuclear receptor 0.0068 0.2649 0.4289
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Schistosoma mansoni nuclear hormone receptor 0.0068 0.2649 0.4289
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3027 0.3802
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0145 0.6176 0.7758
Loa Loa (eye worm) hypothetical protein 0.0016 0.0216 0.0272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0145 0.6176 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0145 0.6176 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.2118 0.343
Schistosoma mansoni thyroid hormone receptor 0.0145 0.6176 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.1143 0.5
Schistosoma mansoni vesicular amine transporter 0.0011 0.0017 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0145 0.6176 0.7758
Brugia malayi beta-lactamase 0.0036 0.1143 0.1436
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0021
Brugia malayi nuclear hormone receptor 0.0068 0.2649 0.3328
Schistosoma mansoni retinoic acid receptor RXR 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1143 0.5
Schistosoma mansoni thyroid hormone receptor 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0185 0.0233
Schistosoma mansoni nuclear hormone receptor 0.0145 0.6176 1
Onchocerca volvulus Tyrosine kinase homolog 0.0172 0.7407 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0068 0.2649 0.3328
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0145 0.6176 1
Brugia malayi orphan nuclear receptor NR2E1 0.0068 0.2649 0.3328
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0145 0.6176 0.7758
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3027 0.3802
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0145 0.6176 0.7758
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0145 0.6176 0.7758
Brugia malayi nuclear hormone receptor 0.0145 0.6176 0.7758
Schistosoma mansoni nuclear receptor nhr-48 0.0068 0.2649 0.4289
Mycobacterium leprae conserved hypothetical protein 0.0036 0.1143 0.5
Loa Loa (eye worm) DR-78 0.0068 0.2649 0.3328
Onchocerca volvulus 0.0068 0.2649 0.2404
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0145 0.6176 0.7758
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0145 0.6176 1
Echinococcus multilocularis roundabout 2 0.0022 0.0517 0.0837
Echinococcus multilocularis Immunoglobulin 0.0011 0.0017 0.0027
Plasmodium vivax hypothetical protein, conserved 0.0036 0.1143 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0068 0.2649 0.4289
Echinococcus granulosus twitchin 0.0014 0.0149 0.0241
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0145 0.6176 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0017 0.0027
Loa Loa (eye worm) nuclear receptor NHR-67 0.0068 0.2649 0.3328
Echinococcus granulosus defective proboscis extension response 0.0011 0.0017 0.0027
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0017 0.0027
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0077 0.3027 0.4901
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.1143 0.1851
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0068 0.2649 0.4289
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.1143 0.1436
Loa Loa (eye worm) hypothetical protein 0.0145 0.6176 0.7758
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1143 0.5
Schistosoma mansoni cell adhesion molecule 0.0019 0.0385 0.0623
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0145 0.6176 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.1143 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0145 0.6176 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.1143 0.1851
Echinococcus multilocularis FTZ F1 alpha 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.2649 0.3328
Echinococcus multilocularis ecdysone induced protein 78C 0.0145 0.6176 1
Echinococcus granulosus ecdysone induced protein 78C 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1143 0.1436
Echinococcus multilocularis nuclear receptor nhr 48 0.0068 0.2649 0.4289
Trichomonas vaginalis esterase, putative 0.0036 0.1143 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0145 0.6176 0.7758
Loa Loa (eye worm) beta-lactamase 0.0036 0.1143 0.1436
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0145 0.6176 0.7758
Brugia malayi steroid hormone receptor 0.0145 0.6176 0.7758
Onchocerca volvulus 0.0167 0.7169 0.962
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0145 0.6176 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0021
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2118 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.2118 0.1101
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0145 0.6176 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0145 0.6176 0.7758
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0145 0.6176 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0068 0.2649 0.4289
Loa Loa (eye worm) hypothetical protein 0.0077 0.3027 0.3802
Echinococcus granulosus neuroglian 0.0014 0.0149 0.0241
Onchocerca volvulus Bile acid receptor homolog 0.0145 0.6176 0.8035
Brugia malayi hypothetical protein 0.0068 0.2649 0.3328
Echinococcus granulosus Immunoglobulin 0.0011 0.0017 0.0027
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.1143 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 68 nM Inhibition of Tie2 by HTRF assay ChEMBL. 17253678
IC50 (binding) = 68 nM Inhibition of Tie2 by HTRF assay ChEMBL. 17253678
IC50 (binding) >= 5000 nM Inhibition of KDR by HTRF assay ChEMBL. 17253678
IC50 (binding) >= 5000 nM Inhibition of KDR by HTRF assay ChEMBL. 17253678

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

1 literature reference was collected for this gene.

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