Detailed information for compound 1293046

Basic information

Technical information
  • TDR Targets ID: 1293046
  • Name: N-(3-methylbutyl)-2-thiophen-2-ylimidazo[3,2- a]pyridin-3-amine
  • MW: 285.407 | Formula: C16H19N3S
  • H donors: 1 H acceptors: 1 LogP: 5.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNc1c(nc2n1cccc2)c1cccs1)C
  • InChi: 1S/C16H19N3S/c1-12(2)8-9-17-16-15(13-6-5-11-20-13)18-14-7-3-4-10-19(14)16/h3-7,10-12,17H,8-9H2,1-2H3
  • InChiKey: ZGMBFXWRYBFWGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopentyl-2-(2-thienyl)imidazo[3,2-a]pyridin-3-amine
  • N-isopentyl-2-(2-thienyl)-3-imidazo[3,2-a]pyridinamine
  • isoamyl-[2-(2-thienyl)imidazo[3,2-a]pyridin-3-yl]amine
  • N-(3-methylbutyl)-2-thiophen-2-yl-imidazo[3,2-a]pyridin-3-amine
  • ZINC00417112
  • Oprea1_699043
  • (3-Methyl-butyl)-(2-thiophen-2-yl-imidazo[1,2-a]pyridin-3-yl)-amine
  • Oprea1_840025
  • ASN 03654196
  • MLS000717169
  • SMR000278536

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0763 0.2682 1
Loa Loa (eye worm) TAR-binding protein 0.0717 0.2504 0.2504
Schistosoma mansoni smad1 5 8 and 0.0182 0.0456 0.075
Brugia malayi Probable ClpP-like protease 0.0166 0.0392 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0717 0.2504 0.4123
Brugia malayi N-terminal motif family protein 0.075 0.263 0.263
Echinococcus multilocularis isocitrate dehydrogenase 0.0329 0.1016 0.379
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0329 0.1016 0.379
Loa Loa (eye worm) hypothetical protein 0.0081 0.007 0.007
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0166 0.0392 0.0263
Brugia malayi latrophilin 2 splice variant baaae 0.1649 0.6074 0.6074
Brugia malayi MH1 domain containing protein 0.0182 0.0456 0.0456
Brugia malayi Latrophilin receptor protein 2 0.0763 0.2682 0.2682
Echinococcus multilocularis mothers against decapentaplegic 2 0.0081 0.007 0.026
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0166 0.0392 0.0263
Schistosoma mansoni peptidase Clp (S14 family) 0.0166 0.0392 0.0646
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 1
Schistosoma mansoni tar DNA-binding protein 0.0717 0.2504 0.4123
Schistosoma mansoni smad 0.0081 0.007 0.0115
Echinococcus multilocularis muscleblind protein 1 0.018 0.0449 0.1673
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 1
Loa Loa (eye worm) RNA binding protein 0.0717 0.2504 0.2504
Loa Loa (eye worm) isocitrate dehydrogenase 0.0329 0.1016 0.1016
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0763 0.2682 0.2682
Plasmodium vivax ataxin-2 like protein, putative 0.0161 0.0375 0.3692
Brugia malayi RNA recognition motif domain containing protein 0.0717 0.2504 0.2504
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0763 0.2682 1
Schistosoma mansoni hypothetical protein 0.1649 0.6074 1
Brugia malayi MH2 domain containing protein 0.0081 0.007 0.007
Toxoplasma gondii LsmAD domain-containing protein 0.0161 0.0375 0.3692
Onchocerca volvulus Huntingtin homolog 0.0148 0.0324 0.0995
Brugia malayi hypothetical protein 0.0148 0.0324 0.0324
Schistosoma mansoni tar DNA-binding protein 0.0717 0.2504 0.4123
Brugia malayi Muscleblind-like protein 0.018 0.0449 0.0449
Echinococcus granulosus muscleblind protein 0.018 0.0449 0.1673
Echinococcus granulosus Smad4 0.0182 0.0456 0.1699
Loa Loa (eye worm) hypothetical protein 0.0148 0.0324 0.0324
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0182 0.0456 0.075
Echinococcus granulosus GPCR family 2 0.0763 0.2682 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0329 0.1016 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.0324 0.0324
Loa Loa (eye worm) pigment dispersing factor receptor c 0.2413 0.8998 0.8998
Schistosoma mansoni Smad4 0.0182 0.0456 0.075
Schistosoma mansoni smad1 5 8 and 0.0182 0.0456 0.075
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0329 0.1016 0.379
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0166 0.0392 0.2591
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0166 0.0392 0.1464
Echinococcus multilocularis tar DNA binding protein 0.0717 0.2504 0.9339
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0166 0.0392 0.5
Loa Loa (eye worm) hypothetical protein 0.0166 0.0392 0.0392
Schistosoma mansoni smad1 5 8 and 0.0182 0.0456 0.075
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0717 0.2504 0.2504
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 1
Schistosoma mansoni Smad4 0.0081 0.007 0.0115
Brugia malayi methionyl-tRNA synthetase 0.0166 0.0392 0.0392
Echinococcus granulosus methionine tRNA synthetase 0.0166 0.0392 0.1462
Brugia malayi MH1 domain containing protein 0.0182 0.0456 0.0456
Echinococcus granulosus TGF beta signal transducer SmadC 0.0182 0.0456 0.1699
Echinococcus granulosus smad 0.0182 0.0456 0.1699
Onchocerca volvulus 0.0102 0.015 0.0314
Brugia malayi hypothetical protein 0.0104 0.0156 0.0156
Brugia malayi MH1 domain containing protein 0.0101 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0763 0.2682 0.2682
Toxoplasma gondii isocitrate dehydrogenase 0.0329 0.1016 1
Schistosoma mansoni tar DNA-binding protein 0.0717 0.2504 0.4123
Echinococcus multilocularis peptidase Clp (S14 family) 0.0109 0.0174 0.0648
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0166 0.0392 0.3861
Brugia malayi hypothetical protein 0.0161 0.0375 0.0375
Giardia lamblia Methionyl-tRNA synthetase 0.0166 0.0392 1
Loa Loa (eye worm) nuclear factor I 0.0101 0.0144 0.0144
Echinococcus granulosus peptidase Clp S14 family 0.0109 0.0174 0.0648
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0166 0.0392 0.3861
Toxoplasma gondii isocitrate dehydrogenase 0.0329 0.1016 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0166 0.0392 0.3861
Brugia malayi RNA binding protein 0.0717 0.2504 0.2504
Echinococcus multilocularis GPCR, family 2 0.0763 0.2682 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0166 0.0392 0.9992
Brugia malayi Calcitonin receptor-like protein seb-1 0.2413 0.8998 0.8998
Plasmodium falciparum ataxin-2 like protein, putative 0.0161 0.0375 0.3692
Loa Loa (eye worm) hypothetical protein 0.1649 0.6074 0.6074
Loa Loa (eye worm) latrophilin receptor protein 2 0.0763 0.2682 0.2682
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0329 0.1016 0.1673
Loa Loa (eye worm) MH2 domain-containing protein 0.0081 0.007 0.007
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0166 0.0392 0.1464
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0329 0.1016 1
Echinococcus multilocularis smad 0.0182 0.0456 0.1699
Loa Loa (eye worm) hypothetical protein 0.2413 0.8998 0.8998
Loa Loa (eye worm) hypothetical protein 0.0101 0.0144 0.0144
Schistosoma mansoni hypothetical protein 0.0763 0.2682 0.4414
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0081 0.007 0.026
Loa Loa (eye worm) Smad1 0.0182 0.0456 0.0456
Schistosoma mansoni Smad4 0.0081 0.007 0.0115
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0329 0.1016 1
Echinococcus multilocularis Smad4 0.0182 0.0456 0.1699
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 0.3861
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0763 0.2682 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.075 0.263 1
Brugia malayi TAR-binding protein 0.0717 0.2504 0.2504
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0329 0.1016 0.379
Schistosoma mansoni methionine-tRNA synthetase 0.0166 0.0392 0.0646
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0329 0.1016 0.379
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0072 0.0035 0.013
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0102 0.015 0.015
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0763 0.2682 1
Plasmodium falciparum methionine--tRNA ligase 0.0166 0.0392 0.3858
Plasmodium falciparum ataxin-2 like protein, putative 0.0161 0.0375 0.3692
Loa Loa (eye worm) hypothetical protein 0.018 0.0449 0.0449
Loa Loa (eye worm) hypothetical protein 0.075 0.263 0.263
Schistosoma mansoni hypothetical protein 0.0763 0.2682 0.4414
Brugia malayi MH2 domain containing protein 0.0182 0.0456 0.0456
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0182 0.0456 0.1699
Brugia malayi Smad1 0.0182 0.0456 0.0456
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0329 0.1016 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0182 0.0456 0.0456
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0329 0.1016 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0182 0.0456 0.0456
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0329 0.1016 0.379
Schistosoma mansoni smad 0.0182 0.0456 0.075
Echinococcus multilocularis muscleblind protein 0.018 0.0449 0.1673
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0166 0.0392 1
Echinococcus multilocularis methionine tRNA synthetase 0.0166 0.0392 0.1462
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0329 0.1016 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.2413 0.8998 0.8998
Schistosoma mansoni hypothetical protein 0.0763 0.2682 0.4414
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0329 0.1016 1
Schistosoma mansoni tar DNA-binding protein 0.0717 0.2504 0.4123
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0072 0.0035 0.013
Leishmania major hypothetical protein, conserved 0.0161 0.0375 0.3692
Schistosoma mansoni hypothetical protein 0.0072 0.0035 0.0057
Schistosoma mansoni hypothetical protein 0.0763 0.2682 0.4414
Leishmania major methionyl-tRNA synthetase, putative 0.0166 0.0392 0.3858
Loa Loa (eye worm) MH1 domain-containing protein 0.0081 0.007 0.007
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0166 0.0392 1
Brugia malayi MH2 domain containing protein 0.0182 0.0456 0.0456
Brugia malayi mothers against decapentaplegic homolog 3 0.0081 0.007 0.007
Brugia malayi MH1 domain containing protein 0.0101 0.0144 0.0144
Toxoplasma gondii methionyl-tRNA synthetase 0.0166 0.0392 0.3858
Loa Loa (eye worm) hypothetical protein 0.0161 0.0375 0.0375
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0166 0.0392 0.0392
Echinococcus granulosus mothers against decapentaplegic 5 0.0182 0.0456 0.1699
Plasmodium vivax methionine--tRNA ligase, putative 0.0166 0.0392 0.3858
Echinococcus granulosus tar DNA binding protein 0.0717 0.2504 0.9339
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0166 0.0392 0.9992
Echinococcus multilocularis mothers against decapentaplegic 5 0.0182 0.0456 0.1699
Onchocerca volvulus Huntingtin homolog 0.0148 0.0324 0.0995
Echinococcus granulosus mothers against decapentaplegic 6 0.0081 0.007 0.026
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0329 0.1016 1
Brugia malayi isocitrate dehydrogenase 0.0329 0.1016 0.1016
Brugia malayi Isocitrate dehydrogenase 0.0329 0.1016 0.1016
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0166 0.0392 0.9986
Loa Loa (eye worm) hypothetical protein 0.018 0.0449 0.0449
Echinococcus multilocularis mothers against decapentaplegic 6 0.0081 0.007 0.026

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 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) = 39.8107 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 44.6684 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) 44.6684 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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