Detailed information for compound 2105754

Basic information

Technical information
  • TDR Targets ID: 2105754
  • Name: 5-(4-chlorophenyl)-6-propylpyrimidine-2,4-dia mine
  • MW: 262.738 | Formula: C13H15ClN4
  • H donors: 2 H acceptors: 2 LogP: 2.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nc(N)nc(c1c1ccc(cc1)Cl)N
  • InChi: 1S/C13H15ClN4/c1-2-3-10-11(12(15)18-13(16)17-10)8-4-6-9(14)7-5-8/h4-7H,2-3H2,1H3,(H4,15,16,17,18)
  • InChiKey: YEXIBPDKYUNGGR-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(4-chlorophenyl)-6-propyl-pyrimidine-2,4-diamine
  • [2-amino-5-(4-chlorophenyl)-6-propyl-pyrimidin-4-yl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hexosaminidase B (beta polypeptide) References
Homo sapiens hexosaminidase A (alpha polypeptide) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glycosyl hydrolase family 20 Get druggable targets OG5_127470 All targets in OG5_127470
Trichomonas vaginalis beta-hexosaminidase B, putative Get druggable targets OG5_127470 All targets in OG5_127470
Schistosoma mansoni beta-hexosaminidase B Get druggable targets OG5_127470 All targets in OG5_127470
Candida albicans beta-N-acetylglucosaminidase whose expression is induced when cells are grown in presence of GlcNAc Get druggable targets OG5_127470 All targets in OG5_127470
Trichomonas vaginalis beta-hexosaminidase, putative Get druggable targets OG5_127470 All targets in OG5_127470
Echinococcus multilocularis beta hexosaminidase subunit beta Get druggable targets OG5_127470 All targets in OG5_127470
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein Get druggable targets OG5_127470 All targets in OG5_127470
Schistosoma japonicum Beta-hexosaminidase subunit beta precursor, putative Get druggable targets OG5_127470 All targets in OG5_127470
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit Get druggable targets OG5_127470 All targets in OG5_127470
Echinococcus multilocularis beta hexosaminidase subunit alpha Get druggable targets OG5_127470 All targets in OG5_127470
Schistosoma japonicum Beta-hexosaminidase subunit A1 precursor, putative Get druggable targets OG5_127470 All targets in OG5_127470
Entamoeba histolytica beta-N-acetylhexosaminidase, putative Get druggable targets OG5_127470 All targets in OG5_127470
Schistosoma mansoni beta-hexosaminidase B Get druggable targets OG5_127470 All targets in OG5_127470
Echinococcus granulosus beta hexosaminidase subunit beta Get druggable targets OG5_127470 All targets in OG5_127470
Trichomonas vaginalis beta-hexosaminidase, putative Get druggable targets OG5_127470 All targets in OG5_127470
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit Get druggable targets OG5_127470 All targets in OG5_127470
Schistosoma japonicum ko:K01207 beta-N-acetylhexosaminidase [EC3.2.1.52], putative Get druggable targets OG5_127470 All targets in OG5_127470
Entamoeba histolytica beta-N-acetylhexosaminidase, putative Get druggable targets OG5_127470 All targets in OG5_127470
Echinococcus granulosus beta hexosaminidase subunit alpha Get druggable targets OG5_127470 All targets in OG5_127470
Trichomonas vaginalis beta-hexosaminidase, putative Get druggable targets OG5_127470 All targets in OG5_127470

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) glycosyl hydrolase family 20 0.0216 1 1
Schistosoma mansoni beta-hexosaminidase B 0.0216 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Echinococcus multilocularis beta hexosaminidase subunit alpha 0.0135 0.5956 0.5956
Onchocerca volvulus Hexosaminidase D homolog 0.005 0.1724 0.5
Echinococcus granulosus beta hexosaminidase subunit beta 0.0216 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0001 0.5
Trichomonas vaginalis beta-hexosaminidase, putative 0.0135 0.5956 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0465 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0001 0.0001
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0216 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0465 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1724 0.1724
Brugia malayi hypothetical protein 0.0016 0.0025 0.0025
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1681 0.1681
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.1681 0.1681
Entamoeba histolytica beta-N-acetylhexosaminidase, putative 0.0216 1 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0465 1
Schistosoma mansoni beta-hexosaminidase B 0.0216 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0465 1
Leishmania major hypothetical protein, conserved 0.0025 0.0465 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0465 0.0465
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0465 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Schistosoma mansoni hypothetical protein 0.0034 0.0903 0.0903
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.005 0.1724 0.1724
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0001 0.0001
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0135 0.5956 1
Echinococcus multilocularis beta hexosaminidase subunit beta 0.0216 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1681 0.1681
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0001 0.0001
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1681 0.1681
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0465 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0465 1
Trichomonas vaginalis beta-hexosaminidase, putative 0.0135 0.5956 1
Brugia malayi Glycosyl hydrolase family 20, catalytic domain containing protein 0.005 0.1724 0.1724
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0001 0.0001
Entamoeba histolytica beta-N-acetylhexosaminidase, beta subunit 0.0216 1 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.1724 0.1724
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0034 0.0903 0.0903
Echinococcus granulosus beta hexosaminidase subunit alpha 0.0135 0.5956 0.5956
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0903 0.0903
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0001 0.0001
Entamoeba histolytica beta-N-acetylhexosaminidase, alpha subunit 0.0216 1 0.5
Trichomonas vaginalis beta-hexosaminidase, putative 0.0135 0.5956 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0001 0.0001
Brugia malayi hypothetical protein 0.0025 0.0465 0.0465

Activities

Activity type Activity value Assay description Source Reference
FC (binding) = 1.5 Chaperoning efficacy at HexA alpha G269S mutant in ATSD patient fibroblasts assessed as maximum increase in enzyme activity using MUGS substrate incubated for 1 to 2 hrs by spectrofluorometry relative to control ChEMBL. 25984755
IC50 (binding) = 18 uM Inhibition of human placental HexA using pNPGlcNAc substrate ChEMBL. 25984755

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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