Detailed information for compound 773423

Basic information

Technical information
  • TDR Targets ID: 773423
  • Name: 3-amino-N-(2-fluoro-5-methylphenyl)-4-(methox ymethyl)-6-methylthieno[5,4-b]pyridine-2-carb oxamide
  • MW: 359.418 | Formula: C18H18FN3O2S
  • H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1cc(C)nc2c1c(N)c(s2)C(=O)Nc1cc(C)ccc1F
  • InChi: 1S/C18H18FN3O2S/c1-9-4-5-12(19)13(6-9)22-17(23)16-15(20)14-11(8-24-3)7-10(2)21-18(14)25-16/h4-7H,8,20H2,1-3H3,(H,22,23)
  • InChiKey: ZLVBXAYXASCMPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-N-(2-fluoro-5-methyl-phenyl)-4-(methoxymethyl)-6-methyl-thieno[5,4-b]pyridine-2-carboxamide
  • 3-amino-N-(2-fluoro-5-methylphenyl)-4-(methoxymethyl)-6-methyl-2-thieno[5,4-b]pyridinecarboxamide
  • ZINC00809805
  • BAS 07525810
  • STK284566
  • NCGC00101668-01

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 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
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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein 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
Schistosoma mansoni tar DNA-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
Loa Loa (eye worm) TAR-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 TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA 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
Brugia malayi TAR-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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) hypothetical protein 0.006 0.1892 0.2179
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1892 0.2179
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.021 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.2637 0.3038
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.295 0.3398
Loa Loa (eye worm) hypothetical protein 0.0041 0.102 0.1175
Brugia malayi TAR-binding protein 0.0076 0.2637 0.3038
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2637 0.894
Brugia malayi Pre-SET motif family protein 0.0209 0.8681 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.021 1
Echinococcus granulosus GPCR family 2 0.0019 0.0009 0.0031
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0293 1
Onchocerca volvulus 0.0083 0.295 0.2574
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0293 0.5794
Mycobacterium leprae conserved hypothetical protein 0.0023 0.021 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0293 0.0338
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0009 0.0031
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2637 0.3038
Brugia malayi RNA binding protein 0.0076 0.2637 0.3038
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0031
Brugia malayi Pre-SET motif family protein 0.003 0.0506 0.0583
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0506 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.295 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2637 0.894
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2637 0.894
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0506 0.1717
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0293 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1892 0.2179
Loa Loa (eye worm) hypothetical protein 0.0019 0.0009 0.001
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1892 0.2179
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.021 0.7152
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.021 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.021 0.4144
Schistosoma mansoni hypothetical protein 0.0041 0.102 0.3459
Leishmania major hypothetical protein, conserved 0.0025 0.0293 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2637 0.894
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0456 0.1546
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2637 0.894
Echinococcus granulosus tar DNA binding protein 0.0076 0.2637 0.894
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0506 0.1717
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.021 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0031
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.021 0.4144
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0009 0.0031
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0009 0.001
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0009 0.001
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.295 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.8681 1
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0009 0.0031
Echinococcus multilocularis GPCR, family 2 0.0019 0.0009 0.0031
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0293 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0293 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.102 0.1175
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.021 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2637 0.894
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0293 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.295 0.3398
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0506 0.1717
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.295 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0506 0.1717
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0293 0.5794
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.021 0.7152
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.021 0.4144
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0009 0.0031
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0506 0.1717
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0506 0.1717
Schistosoma mansoni hypothetical protein 0.0019 0.0009 0.0031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2637 0.3038
Entamoeba histolytica hypothetical protein 0.0023 0.021 1
Plasmodium vivax SET domain protein, putative 0.003 0.0506 1
Brugia malayi hypothetical protein 0.0025 0.0293 0.0338
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0009 0.001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0506 0.1717
Trichomonas vaginalis set domain proteins, putative 0.0237 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2637 0.3038
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.021 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.021 0.7152
Loa Loa (eye worm) hypothetical protein 0.003 0.0506 0.0583

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 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) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 30.1313 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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