Detailed information for compound 1428905

Basic information

Technical information
  • TDR Targets ID: 1428905
  • Name: N-[2,4-dichloro-6-(4-methylpiperazine-1-carbo nyl)phenyl]furan-2-carboxamide
  • MW: 382.241 | Formula: C17H17Cl2N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)c1cc(Cl)cc(c1NC(=O)c1ccco1)Cl
  • InChi: 1S/C17H17Cl2N3O3/c1-21-4-6-22(7-5-21)17(24)12-9-11(18)10-13(19)15(12)20-16(23)14-3-2-8-25-14/h2-3,8-10H,4-7H2,1H3,(H,20,23)
  • InChiKey: UGWLZMQLTMPPDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2,4-dichloro-6-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]-2-furancarboxamide
  • N-[2,4-dichloro-6-(4-methylpiperazine-1-carbonyl)phenyl]-2-furamide
  • N-[2,4-dichloro-6-(4-methylpiperazin-1-yl)carbonyl-phenyl]furan-2-carboxamide
  • N-{2,4-dichloro-6-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-2-furamide
  • MLS000708546
  • SMR000289113
  • BAS 06021971
  • AP-064/41684508

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1567 0.1576
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1567 0.1468
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1503 0.1512
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1567 0.1576
Schistosoma mansoni cpg binding protein 0.0037 0.0703 0.0698
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0465 1 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0055 0.1108 0.1038
Plasmodium falciparum lysophospholipase, putative 0.0465 1 1
Onchocerca volvulus 0.0035 0.066 0.5
Plasmodium vivax PST-A protein 0.0465 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Brugia malayi RNA binding protein 0.0076 0.1567 0.1471
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0027 0.0503 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0055 0.1108 0.0637
Brugia malayi putative amidase 0.0055 0.1108 0.0998
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1567 0.1468
Brugia malayi TAR-binding protein 0.0076 0.1567 0.1471
Mycobacterium ulcerans hypothetical protein 0.0465 1 1
Trypanosoma cruzi amidase, putative 0.0055 0.1108 0.0637
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0027 0.0503 0.0495
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0465 1 1
Mycobacterium ulcerans amidase 0.0055 0.1108 0.0637
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0079 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0465 1 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0055 0.1108 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0465 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0027 0.0503 0.0503
Echinococcus granulosus fatty acid amide hydrolase 1 0.0055 0.1108 0.1038
Schistosoma mansoni peptidase 0.0027 0.0503 0.0495
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Trypanosoma cruzi monoglyceride lipase, putative 0.0465 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0079 0.0079
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0079 0.0079
Brugia malayi MGC79044 protein 0.0027 0.0503 0.0376
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0465 1 1
Mycobacterium ulcerans amidase 0.0055 0.1108 0.0637
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1567 0.1508
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0055 0.1108 0.111
Mycobacterium ulcerans amidase 0.0055 0.1108 0.0637
Mycobacterium ulcerans peptide amidase, GatA 0.0055 0.1108 0.0637
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0027 0.0503 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0703 0.0623
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0465 1 1
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0055 0.1108 0.1038
Schistosoma mansoni fatty-acid amide hydrolase 0.0055 0.1108 0.111
Echinococcus granulosus abhydrolase domain containing protein 13 0.0027 0.0503 0.0418
Echinococcus granulosus fatty acid amide hydrolase 1 0.0459 0.9854 1
Echinococcus multilocularis abhydrolase domain containing 3 0.0027 0.0503 0.0418
Loa Loa (eye worm) amidase 0.0055 0.1108 0.0996
Loa Loa (eye worm) hypothetical protein 0.0459 0.9854 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0703 0.0623
Brugia malayi Protein C20orf22 0.0027 0.0503 0.0376
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0459 0.9854 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0079 0.0079
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0141 0.0047
Schistosoma mansoni cpg binding protein 0.0037 0.0703 0.0698
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0027 0.0503 0.0503
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0465 1 1
Echinococcus granulosus Phospholipase carboxylesterase 0.0027 0.0503 0.0418
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0055 0.1108 0.5
Mycobacterium ulcerans amidase 0.0055 0.1108 0.0637
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Mycobacterium tuberculosis Possible lysophospholipase 0.0465 1 1
Brugia malayi amidase 0.0459 0.9854 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0465 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0141 0.0047
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0027 0.0503 0.0503
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1567 0.1576
Brugia malayi Amidase family protein 0.0055 0.1108 0.0998
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0055 0.1108 0.0637
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0095 0.008
Loa Loa (eye worm) RNA binding protein 0.0076 0.1567 0.1468
Leishmania major monoglyceride lipase, putative 0.0465 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0465 1 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0055 0.1108 0.0637
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Brugia malayi MGC83647 protein 0.0027 0.0503 0.0376
Plasmodium falciparum lysophospholipase, putative 0.0465 1 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0055 0.1108 0.0637
Mycobacterium ulcerans lysophospholipase 0.0465 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1567 0.1576
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0027 0.0503 0.0503
Trypanosoma brucei monoglyceride lipase, putative 0.0465 1 1
Trypanosoma cruzi amidase, putative 0.0055 0.1108 0.0637
Schistosoma mansoni fatty-acid amide hydrolase 0.0459 0.9854 1
Mycobacterium ulcerans amidase 0.0055 0.1108 0.0637
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0055 0.1108 0.0637
Brugia malayi Amidase family protein 0.0055 0.1108 0.0998
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0027 0.0503 0.0418
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0055 0.1108 0.1038
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0459 0.9854 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.066 0.0535
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0079 0.0079
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0079 0.0079
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1333 1
Trypanosoma brucei monoglyceride lipase, putative 0.0465 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1567 0.1576
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0055 0.1108 0.0637
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0055 0.1108 0.0637
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1567 0.1471
Plasmodium falciparum esterase, putative 0.0465 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0055 0.1108 0.0637
Loa Loa (eye worm) amidase 0.0055 0.1108 0.0996
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0079 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Schistosoma mansoni amidase 0.0459 0.9854 1
Echinococcus multilocularis Phospholipase carboxylesterase 0.0027 0.0503 0.0418
Loa Loa (eye worm) hypothetical protein 0.0027 0.0503 0.0373
Leishmania major hypothetical protein, conserved 0.0055 0.1108 0.0637
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0027 0.0503 0.0373
Echinococcus granulosus fatty acid amide hydrolase 1 0.0459 0.9854 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0503 0.0373
Trichomonas vaginalis helicase, putative 0.0008 0.0079 0.0079
Plasmodium falciparum lysophospholipase, putative 0.0465 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0027 0.0503 0.0503
Schistosoma mansoni cpg binding protein 0.0035 0.066 0.0655
Loa Loa (eye worm) hypothetical protein 0.0027 0.0503 0.0373
Echinococcus granulosus abhydrolase domain containing 3 0.0027 0.0503 0.0418
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0027 0.0503 0.0503
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0027 0.0503 0.0503
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0079 0.0079
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0027 0.0503 0.0418
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0027 0.0503 0.0495
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0465 1 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0055 0.1108 0.0637
Loa Loa (eye worm) hypothetical protein 0.0027 0.0503 0.0373
Echinococcus granulosus tar DNA binding protein 0.0076 0.1567 0.1508
Brugia malayi CXXC zinc finger family protein 0.0035 0.066 0.0538
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0027 0.0503 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0079 0.0079
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0503 0.0503
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0055 0.1108 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (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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