Detailed information for compound 1285854

Basic information

Technical information
  • TDR Targets ID: 1285854
  • Name: 3-amino-N-cyclopentyl-4,6-dimethylthieno[5,4- b]pyridine-2-carboxamide
  • MW: 289.396 | Formula: C15H19N3OS
  • H donors: 2 H acceptors: 2 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(n1)sc(c2N)C(=O)NC1CCCC1
  • InChi: 1S/C15H19N3OS/c1-8-7-9(2)17-15-11(8)12(16)13(20-15)14(19)18-10-5-3-4-6-10/h7,10H,3-6,16H2,1-2H3,(H,18,19)
  • InChiKey: MRRXIEJCKOBELW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-amino-N-cyclopentyl-4,6-dimethyl-thieno[5,4-b]pyridine-2-carboxamide
  • 3-amino-N-cyclopentyl-4,6-dimethyl-2-thieno[5,4-b]pyridinecarboxamide
  • IDI1_006901
  • T0508-2042
  • MLS001018026
  • SMR000354275
  • Enamine_002554
  • Oprea1_277295
  • Oprea1_213524

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
Brugia malayi mbt repeat family protein 0.0058 0.1207 0.3136
Loa Loa (eye worm) hypothetical protein 0.0145 0.3848 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1447 0.1698
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0189 0.5153 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0189 0.5153 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.3848 1
Entamoeba histolytica hypothetical protein 0.0037 0.06 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.06 0.025
Entamoeba histolytica hypothetical protein 0.0037 0.06 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1207 0.1288
Loa Loa (eye worm) hypothetical protein 0.0035 0.0541 0.1406
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1207 0.3136
Loa Loa (eye worm) MBCTL1 0.0066 0.1447 0.3759
Echinococcus multilocularis muscleblind protein 0.0145 0.3848 0.5807
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.6298 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1207 0.1288
Echinococcus multilocularis geminin 0.0176 0.4773 0.7391
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.6298 1
Echinococcus granulosus muscleblind protein 0.0145 0.3848 0.5807
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1447 0.3759
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1207 0.1288
Schistosoma mansoni hypothetical protein 0.0176 0.4773 0.4524
Schistosoma mansoni hypothetical protein 0.0037 0.06 0.0153
Brugia malayi intermediate filament protein 0.0033 0.0454 0.1181
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.06 0.025
Onchocerca volvulus 0.0058 0.1207 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1207 0.3136
Echinococcus granulosus geminin 0.0176 0.4773 0.7391
Entamoeba histolytica hypothetical protein 0.0037 0.06 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0454 0.1181
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0454 0.1181
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0189 0.5153 0.5
Brugia malayi Muscleblind-like protein 0.0145 0.3848 1
Brugia malayi mbt repeat family protein 0.0058 0.1207 0.3136
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1207 0.0788
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1034 0.2688
Loa Loa (eye worm) hypothetical protein 0.0032 0.0437 0.1134
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.06 0.0153
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1447 0.1698
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0189 0.5153 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0541 0.1406
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1034 0.2688
Loa Loa (eye worm) hypothetical protein 0.0066 0.1447 0.3759
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1447 0.1039
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1207 0.0788
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1447 0.1698
Plasmodium falciparum enoyl-acyl carrier reductase 0.0189 0.5153 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1207 0.1288
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1207 1
Trichomonas vaginalis hypothetical protein 0.0189 0.5153 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1034 0.2688
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0189 0.5153 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0541 0.0091
Echinococcus multilocularis muscleblind protein 1 0.0145 0.3848 0.5807
Schistosoma mansoni hypothetical protein 0.0176 0.4773 0.4524
Entamoeba histolytica hypothetical protein 0.0037 0.06 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1034 0.2688
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0454 0.1181
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0189 0.5153 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1207 0.0788
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0189 0.5153 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0454 0.1181
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1447 0.1698
Brugia malayi hypothetical protein 0.0037 0.06 0.156

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2239 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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 (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 37.933 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) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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