Detailed information for compound 604119

Basic information

Technical information
  • TDR Targets ID: 604119
  • Name: 5-(4-chlorophenyl)-6-(2-methylpropyl)pyrimidi ne-2,4-diamine
  • MW: 276.765 | Formula: C14H17ClN4
  • H donors: 2 H acceptors: 2 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1nc(N)nc(c1c1ccc(cc1)Cl)N)C
  • InChi: 1S/C14H17ClN4/c1-8(2)7-11-12(13(16)19-14(17)18-11)9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H4,16,17,18,19)
  • InChiKey: OJICAGOARSTCMM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

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

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

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 5 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 5.17 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 5.64 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 6 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 6.51 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 96 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 0.76 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 5 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 6 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 96 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.84 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.14482 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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