Detailed information for compound 1480880

Basic information

Technical information
  • TDR Targets ID: 1480880
  • Name: N-(4-amino-2-methylsulfanyl-6-oxo-3H-pyrimidi n-5-yl)-5-bromofuran-2-carboxamide
  • MW: 345.172 | Formula: C10H9BrN4O3S
  • H donors: 3 H acceptors: 4 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nc(N)c(c(n1)O)NC(=O)c1ccc(o1)Br
  • InChi: 1S/C10H9BrN4O3S/c1-19-10-14-7(12)6(9(17)15-10)13-8(16)4-2-3-5(11)18-4/h2-3H,1H3,(H,13,16)(H3,12,14,15,17)
  • InChiKey: APHZNQWDWFGYKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-amino-2-methylsulfanyl-6-oxo-3H-pyrimidin-5-yl)-5-bromo-furan-2-carboxamide
  • N-[4-amino-2-(methylthio)-6-oxo-3H-pyrimidin-5-yl]-5-bromo-2-furancarboxamide
  • N-[4-amino-6-keto-2-(methylthio)-3H-pyrimidin-5-yl]-5-bromo-2-furamide
  • ZINC05082387

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum Mg2+ transport protein (mgtE) 0.0009 0.0035 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0155 0.3149 1
Chlamydia trachomatis Mg++ transporter 0.0009 0.0035 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0155 0.3149 1
Echinococcus multilocularis GPCR, family 2 0.0037 0.0637 0.0622
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0009 0.0035 0.0019
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0146 0.2952 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0064 0.1214 0.3787
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0074 0.1411 0.4418
Echinococcus multilocularis geminin 0.0388 0.8112 0.8109
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0009 0.0035 0.0019
Schistosoma mansoni hypothetical protein 0.0388 0.8112 0.8109
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0155 0.3149 1
Echinococcus granulosus geminin 0.0388 0.8112 0.8109
Echinococcus multilocularis dnaJ subfamily B 0.0476 1 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0155 0.3149 0.3138
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0155 0.3149 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.0552 0.166
Echinococcus granulosus H:Cl exchange transporter 3 0.0009 0.0035 0.0019
Schistosoma mansoni hypothetical protein 0.0476 1 1
Schistosoma mansoni hypothetical protein 0.0037 0.0637 0.0622
Trypanosoma cruzi GMP reductase 0.0155 0.3149 1
Schistosoma mansoni hypothetical protein 0.0081 0.1563 0.155
Loa Loa (eye worm) hypothetical protein 0.0037 0.0637 0.1932
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0155 0.3149 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Onchocerca volvulus 0.0033 0.0552 0.4383
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0009 0.0035 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0081 0.1577 0.4951
Schistosoma mansoni hypothetical protein 0.0388 0.8112 0.8109
Schistosoma mansoni hypothetical protein 0.0043 0.0765 0.0751
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0146 0.2952 1
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0009 0.0035 0.0019
Chlamydia trachomatis CBS domain-containing protein 0.0009 0.0035 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Echinococcus granulosus GPCR family 2 0.0037 0.0637 0.0622
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0118 0.2361 0.7471
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0059 0.0044
Entamoeba histolytica hypothetical protein 0.0043 0.0765 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Leishmania major guanosine monophosphate reductase 0.0155 0.3149 1
Echinococcus granulosus cpg binding protein 0.0035 0.0593 0.0578
Brugia malayi hypothetical protein 0.0043 0.0765 0.2346
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0059 0.0044
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0009 0.0035 0.0019
Onchocerca volvulus Putative GMP reductase 0.0064 0.1214 1
Schistosoma mansoni hypothetical protein 0.0037 0.0637 0.0622
Trypanosoma brucei GMP reductase 0.0155 0.3149 1
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0009 0.0035 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.119 0.3709
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0637 0.0622
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0009 0.0035 0.0019
Echinococcus multilocularis cpg binding protein 0.0035 0.0593 0.0578
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0552 0.166
Schistosoma mansoni protein kinase subunit gamma 0.0009 0.0035 0.0019
Loa Loa (eye worm) histone methyltransferase 0.001 0.0059 0.0078
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0765 0.0751
Toxoplasma gondii IMP dehydrogenas 0.0155 0.3149 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0074 0.1411 0.4418
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0071 0.1352 0.1338
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0009 0.0035 0.5
Loa Loa (eye worm) GMP reductase 0.0064 0.1214 0.3787
Schistosoma mansoni cpg binding protein 0.0035 0.0593 0.0578
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0009 0.0035 0.0019
Schistosoma mansoni chloride channel protein 0.0009 0.0035 0.0019
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Schistosoma mansoni chloride channel protein 0.0009 0.0035 0.0019
Schistosoma mansoni cpg binding protein 0.0033 0.0552 0.0537
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0637 0.1932
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.0637 0.0622
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0009 0.0035 0.0019
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0155 0.3149 1
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0056 0.0068
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0009 0.0035 0.0019
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0155 0.3149 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0118 0.2361 0.7471
Treponema pallidum hemolysin (tlyC) 0.0009 0.0035 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0637 0.0622
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0146 0.2952 0.9369
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0765 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0118 0.2361 0.7471
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0637 0.1932
Giardia lamblia Hypothetical protein 0.0009 0.0035 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0765 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0637 0.1932
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0009 0.0035 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0637 0.0622
Brugia malayi GMP reductase 0.0064 0.1214 0.3787
Echinococcus granulosus H:Cl exchange transporter 4 0.0009 0.0035 0.0019
Schistosoma mansoni chloride channel protein 0.0009 0.0035 0.0019
Schistosoma mansoni cpg binding protein 0.0035 0.0593 0.0578
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.0637 0.0622
Loa Loa (eye worm) hypothetical protein 0.0118 0.2361 0.7471
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0155 0.3149 0.3138
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0009 0.0035 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0081 0.1577 0.4951
Loa Loa (eye worm) hypothetical protein 0.0081 0.1563 0.4907
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0009 0.0035 0.0019
Loa Loa (eye worm) IMP dehydrogenase 1 0.0155 0.3149 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0765 0.0751
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.1563 0.4907
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0009 0.0035 0.0019
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.0637 0.0622
Trypanosoma cruzi GMP reductase 0.0155 0.3149 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0155 0.3149 1
Entamoeba histolytica hypothetical protein 0.0043 0.0765 0.5
Leishmania major inosine-5-monophosphate dehydrogenase 0.0155 0.3149 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0765 0.0751
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0064 0.1214 0.3787
Trichomonas vaginalis conserved hypothetical protein 0.0008 0 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0155 0.3149 1
Trichomonas vaginalis helicase, putative 0.0008 0 0.5
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0155 0.3149 0.3138
Echinococcus granulosus H:Cl exchange transporter 7 0.0009 0.0035 0.0019

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0731 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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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