Detailed information for compound 897900

Basic information

Technical information
  • TDR Targets ID: 897900
  • Name: 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methyl-3- nitrophenyl)guanidine
  • MW: 300.316 | Formula: C14H16N6O2
  • H donors: 2 H acceptors: 4 LogP: 1.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=Nc1nc(C)cc(n1)C)Nc1ccc(c(c1)[N+](=O)[O-])C
  • InChi: 1S/C14H16N6O2/c1-8-4-5-11(7-12(8)20(21)22)18-13(15)19-14-16-9(2)6-10(3)17-14/h4-7H,1-3H3,(H3,15,16,17,18,19)
  • InChiKey: GVFPEPDLOMZJOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methyl-3-nitro-phenyl)guanidine
  • 2-(4,6-dimethyl-2-pyrimidinyl)-1-(4-methyl-3-nitrophenyl)guanidine
  • CBMicro_001494
  • ST034200
  • MLS000560940
  • SMR000176814
  • BAS 01306654
  • N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-(4-methyl-3-nitro-phenyl)-guanidine
  • BIM-0001423.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
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 arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
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
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0116 0.0116
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0618 0.0537
Schistosoma mansoni survival motor neuron protein 0.0058 0.0104 0.0104
Trypanosoma brucei hexokinase 0.168 1 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.0817 0.0817
Onchocerca volvulus 0.168 1 1
Loa Loa (eye worm) hypothetical protein 0.0534 0.3008 0.3008
Echinococcus multilocularis hexokinase 0.168 1 1
Loa Loa (eye worm) hexokinase 0.1054 0.618 0.618
Loa Loa (eye worm) hexokinase type II 0.168 1 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.1491 0.1491
Toxoplasma gondii hexokinase 0.168 1 1
Leishmania major hexokinase, putative 0.168 1 0.5
Loa Loa (eye worm) hexokinase 0.052 0.2921 0.2921
Schistosoma mansoni hypothetical protein 0.0058 0.0104 0.0104
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0063 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0116 0.0116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0086 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0086 0.0086
Entamoeba histolytica hexokinase 1 0.168 1 1
Echinococcus granulosus hexokinase type 2 0.168 1 1
Trypanosoma cruzi hexokinase, putative 0.168 1 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1491 0.1438
Onchocerca volvulus 0.168 1 1
Echinococcus multilocularis hexokinase 0.168 1 1
Loa Loa (eye worm) hexokinase 0.168 1 1
Echinococcus granulosus hexokinase 0.168 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0116 0.0116
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0629 0.0629
Echinococcus granulosus hexokinase 0.168 1 1
Brugia malayi MH2 domain containing protein 0.0144 0.0629 0.0629
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0618 0.0559
Leishmania major hexokinase, putative 0.168 1 0.5
Schistosoma mansoni lipoxygenase 0.01 0.0356 0.0356
Trypanosoma brucei hexokinase 0.168 1 0.5
Brugia malayi Hexokinase family protein 0.168 1 1
Treponema pallidum hexokinase (hxk) 0.168 1 0.5
Plasmodium falciparum hexokinase 0.168 1 1
Loa Loa (eye worm) hexokinase 0.168 1 1
Echinococcus multilocularis hexokinase 0.168 1 1
Onchocerca volvulus Hexokinase homolog 0.1054 0.618 0.614
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.0817 0.0737
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0086 0.0086
Echinococcus multilocularis hexokinase type 2 0.168 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0086 0.0086
Brugia malayi Hexokinase family protein 0.1054 0.618 0.618
Brugia malayi Hexokinase family protein 0.052 0.2921 0.2921
Plasmodium vivax hexokinase, putative 0.168 1 1
Onchocerca volvulus 0.168 1 1
Schistosoma mansoni hexokinase 0.168 1 1
Schistosoma mansoni lipoxygenase 0.0142 0.0618 0.0618
Loa Loa (eye worm) hypothetical protein 0.0534 0.3008 0.3008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0116 0.0116
Brugia malayi hypothetical protein 0.0286 0.1491 0.1491
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.0787 0.0729
Brugia malayi hexokinase type II 0.0534 0.3008 0.3008
Trypanosoma brucei hexokinase, putative 0.168 1 0.5
Loa Loa (eye worm) acetyltransferase 0.0175 0.0817 0.0817
Echinococcus granulosus hexokinase 0.168 1 1
Onchocerca volvulus 0.1054 0.618 0.614
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0063 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.0817 0.0817
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0086 0.0023
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1491 0.1418
Trypanosoma cruzi hexokinase, putative 0.168 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0086 0.0086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0086 0.0086
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0104 0.0104
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0037 0.5
Entamoeba histolytica hexokinase 2 0.168 1 1
Loa Loa (eye worm) hypothetical protein 0.1146 0.6741 0.6741
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0629 0.0629

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2617 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 2.2387 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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