Detailed information for compound 1313879

Basic information

Technical information
  • TDR Targets ID: 1313879
  • Name: 5-bromo-N-[4-(6-piperidin-1-ylpyridazin-3-yl) phenyl]furan-2-carboxamide
  • MW: 427.294 | Formula: C20H19BrN4O2
  • H donors: 1 H acceptors: 3 LogP: 4.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(o1)Br)Nc1ccc(cc1)c1ccc(nn1)N1CCCCC1
  • InChi: 1S/C20H19BrN4O2/c21-18-10-9-17(27-18)20(26)22-15-6-4-14(5-7-15)16-8-11-19(24-23-16)25-12-2-1-3-13-25/h4-11H,1-3,12-13H2,(H,22,26)
  • InChiKey: FCNHEHQDHPEFRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-bromo-N-[4-[6-(1-piperidyl)pyridazin-3-yl]phenyl]furan-2-carboxamide
  • 5-bromo-N-[4-[6-(1-piperidyl)-3-pyridazinyl]phenyl]-2-furancarboxamide
  • 5-bromo-N-[4-(6-piperidinopyridazin-3-yl)phenyl]-2-furamide

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 euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor corepressor 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group E, member 3 Starlite/ChEMBL No references
Homo sapiens peroxisome proliferator-activated receptor gamma No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus granulosus nuclear receptor co repressor related ncor Get druggable targets OG5_131772 All targets in OG5_131772
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_135311 All targets in OG5_135311
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi photoreceptor-specific nuclear receptor Get druggable targets OG5_135311 All targets in OG5_135311
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis nuclear receptor co repressor related (ncor) Get druggable targets OG5_131772 All targets in OG5_131772
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Nuclear hormone receptor family member nhr-49 nuclear receptor subfamily 2, group E, member 3 410 aa 384 aa 28.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.0115
Schistosoma mansoni hypothetical protein 0.0055 0.0158 0.0905
Echinococcus multilocularis expressed conserved protein 0.0112 0.0761 0.0761
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2618 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0854 0.2814
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0035 0.02
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0333 0.3115 0.3115
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.0115
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0035 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0115 0.038
Loa Loa (eye worm) hypothetical protein 0.0325 0.3036 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0035 0.5
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1381 0.1381
Onchocerca volvulus 0.0043 0.0035 0.0134
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2248 0.7406
Loa Loa (eye worm) hypothetical protein 0.0062 0.0238 0.0783
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0035 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0325 0.3036 1
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0333 0.3115 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0035 0.5
Echinococcus multilocularis protein dispatched 1 0.0058 0.0192 0.0192
Schistosoma mansoni hypothetical protein 0.0205 0.1751 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.0858 0.4898
Schistosoma mansoni hypothetical protein 0.0049 0.0096 0.0547
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0035 0.0115
Loa Loa (eye worm) hypothetical protein 0.0119 0.0838 0.2761
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.0838 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0115 0.038
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0115 0.037
Onchocerca volvulus 0.0043 0.0035 0.0134
Schistosoma mansoni hypothetical protein 0.0049 0.0096 0.0547
Echinococcus multilocularis protein patched 0.0051 0.0115 0.0115
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1381 0.4434
Echinococcus multilocularis geminin 0.0205 0.1751 0.1751
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0035 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.0838 0.269
Brugia malayi beta-lactamase 0.0043 0.0035 0.0115
Loa Loa (eye worm) beta-lactamase 0.0043 0.0035 0.0115
Brugia malayi CHE-14 protein 0.0051 0.0115 0.038
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.0115
Schistosoma mansoni hypothetical protein 0.0049 0.0096 0.0547
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0035 0.0112
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.253 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0115 0.0115
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.0838 0.2761
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0115 0.037
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0854 0.2814
Toxoplasma gondii ABC1 family protein 0.0043 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.0115
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.0838 0.0838
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0035 0.0035
Echinococcus granulosus expressed conserved protein 0.0112 0.0761 0.2444
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.0854 0.2814
Loa Loa (eye worm) hypothetical protein 0.012 0.0854 0.2814
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0035 0.0115
Brugia malayi beta-lactamase family protein 0.0043 0.0035 0.0115
Mycobacterium ulcerans lipase LipD 0.0043 0.0035 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.0448 0.1477
Onchocerca volvulus 0.0286 0.2618 1
Onchocerca volvulus 0.0043 0.0035 0.0134
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0082 0.0448 0.1477
Leishmania major hypothetical protein, conserved 0.0043 0.0035 0.5
Schistosoma mansoni hypothetical protein 0.0082 0.0448 0.2561
Schistosoma mansoni hypothetical protein 0.0205 0.1751 1
Brugia malayi beta-lactamase family protein 0.0043 0.0035 0.0115
Brugia malayi Pre-SET motif family protein 0.0251 0.2248 0.7406
Mycobacterium ulcerans hypothetical protein 0.0043 0.0035 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0035 0.02
Schistosoma mansoni patched 1 0.0051 0.0115 0.0659
Schistosoma mansoni hypothetical protein 0.0049 0.0096 0.0547
Mycobacterium leprae Probable lipase LipE 0.0043 0.0035 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0115 0.0311
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.0115
Mycobacterium ulcerans beta-lactamase 0.0043 0.0035 0.5
Echinococcus granulosus geminin 0.0205 0.1751 0.5621
Loa Loa (eye worm) hypothetical protein 0.0043 0.0035 0.0115
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0035 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.809 um PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay to identify NR2E3 inverse agonists. (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
IC50 (functional) = 7.18 um PUBCHEM_BIOASSAY: Counterscreen for NR2E3 inverse agonists: TR-FRET-based biochemical high throughput dose response assay to identify inverse agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear receptor co-repressor 2 (NCOR2). (Class of assay: confirmatory) [Related pubchem assays: 2379 (Confirmation (NR2E3 agonists in quadruplicate)), 2759 (Dose response counterscreen (PPARg and NCOR2 interaction agonists in triplicate)), 2758 (Dose response (NR2E3 agonists in quadruplicate)), 2325 (Summary (NR2E3 agonists)), 2300 (Primary screen (NR2E3 agonists in singlicate))] ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 11.6891 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) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 16.3601 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) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 23.0999 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 23.1093 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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