Detailed information for compound 985718

Basic information

Technical information
  • TDR Targets ID: 985718
  • Name: N-[[5-(3-chlorophenyl)furan-2-yl]methylidenea mino]-6-methylpyridine-3-carboxamide
  • MW: 339.776 | Formula: C18H14ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)c1ccc(o1)/C=N/NC(=O)c1ccc(nc1)C
  • InChi: 1S/C18H14ClN3O2/c1-12-5-6-14(10-20-12)18(23)22-21-11-16-7-8-17(24-16)13-3-2-4-15(19)9-13/h2-11H,1H3,(H,22,23)/b21-11+
  • InChiKey: IKOGHFWBOWBGFE-SRZZPIQSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[5-(3-chlorophenyl)-2-furyl]methyleneamino]-6-methyl-pyridine-3-carboxamide
  • N-[[5-(3-chlorophenyl)-2-furyl]methyleneamino]-6-methyl-3-pyridinecarboxamide
  • N-[[5-(3-chlorophenyl)-2-furyl]methyleneamino]-6-methyl-nicotinamide
  • N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-methyl-pyridine-3-carboxamide
  • STOCK3S-03237
  • ZINC00546699
  • ZINC04471751
  • 6-Methyl-nicotinic acid [1-[5-(3-chloro-phenyl)-furan-2-yl]-meth-(Z)-ylidene]-hydrazide
  • MLS000768071
  • SMR000431373

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G 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
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi galectin 0.0119 0.557 0.6295
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0119 0.557 0.6295
Brugia malayi MH2 domain containing protein 0.0144 0.6858 0.775
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0356 0.0356
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6858 0.775
Onchocerca volvulus Galectin homolog 0.0119 0.557 0.6295
Brugia malayi GCC2 and GCC3 family protein 0.0018 0.0302 0.0341
Brugia malayi Galactoside-binding lectin family protein 0.0119 0.557 0.6295
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0356 0.0356
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2494 0.2819
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Loa Loa (eye worm) galectin 0.0119 0.557 0.6295
Schistosoma mansoni hypothetical protein 0.0041 0.1504 0.1504
Brugia malayi Galactoside-binding lectin family protein 0.0119 0.557 0.6295
Loa Loa (eye worm) hypothetical protein 0.0182 0.8849 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1504 0.17
Loa Loa (eye worm) hypothetical protein 0.0019 0.0356 0.0402
Brugia malayi Galactoside-binding lectin family protein 0.0119 0.557 0.6295
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0018 0.0302 0.0341
Brugia malayi galectin 0.0119 0.557 0.6295
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0119 0.557 0.6295
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Echinococcus granulosus GPCR family 2 0.0019 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0046
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6858 0.775
Echinococcus multilocularis GPCR, family 2 0.0019 0.0356 0.0356
Brugia malayi Galactoside-binding lectin family protein 0.0119 0.557 0.6295
Loa Loa (eye worm) hypothetical protein 0.0119 0.557 0.6295
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2494 0.2819
Loa Loa (eye worm) galactoside-binding lectin family protein 0.0119 0.557 0.6295
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2494 0.2819
Schistosoma mansoni hypothetical protein 0.0019 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0119 0.557 0.6295
Loa Loa (eye worm) hypothetical protein 0.0119 0.557 0.6295
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1504 0.17
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis Galectin, carbohydrate recognition domain 0.0119 0.557 0.557
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0356 0.0402
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus granulosus Galectin carbohydrate recognition domain 0.0119 0.557 0.557
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0356 0.0356
Brugia malayi hypothetical protein 0.0182 0.8849 1
Onchocerca volvulus 0.0182 0.8849 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0356 0.0402
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0356 0.0402
Schistosoma mansoni galectin 0.0119 0.557 0.557
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2494 0.2819
Onchocerca volvulus Galectin homolog 0.0119 0.557 0.6295
Loa Loa (eye worm) galectin 0.0119 0.557 0.6295

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1312 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) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 16.3601 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) 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) 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) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 36.6108 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) = 39.8107 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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