Detailed information for compound 1406350

Basic information

Technical information
  • TDR Targets ID: 1406350
  • Name: furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiaz olo[2,3-e][1,2,4]triazol-5-yl)-thiophen-2-ylm ethyl]piperazin-1-yl]methanone
  • MW: 429.516 | Formula: C19H19N5O3S2
  • H donors: 1 H acceptors: 4 LogP: 2.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn2c(n1)sc(c2O)C(c1cccs1)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C19H19N5O3S2/c1-12-20-19-24(21-12)18(26)16(29-19)15(14-5-3-11-28-14)22-6-8-23(9-7-22)17(25)13-4-2-10-27-13/h2-5,10-11,15,26H,6-9H2,1H3
  • InChiKey: HTOVIECVYFLKKU-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-furyl-[4-[(6-hydroxy-2-methyl-thiazolo[2,3-e][1,2,4]triazol-5-yl)-(2-thienyl)methyl]piperazin-1-yl]methanone
  • 2-furyl-[4-[(6-hydroxy-2-methyl-5-thiazolo[2,3-e][1,2,4]triazolyl)-(2-thienyl)methyl]-1-piperazinyl]methanone
  • furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[2,3-e][1,2,4]triazol-5-yl)-thiophen-2-yl-methyl]piperazin-1-yl]methanone
  • SMR000017273
  • MLS000101817

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0013 0.0031 0.0107
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Loa Loa (eye worm) hypothetical protein 0.006 0.12 0.1738
Treponema pallidum ATP-dependent RNA helicase 0.0125 0.2848 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Brugia malayi Uncoordinated protein 44 0.0016 0.0096 0.0139
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1163 0.1684
Brugia malayi Death domain containing protein 0.0016 0.0096 0.0139
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0125 0.2848 0.2848
Echinococcus multilocularis glycoprotein Antigen 5 0.0013 0.0031 0.0031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1087 0.1574
Brugia malayi hypothetical protein 0.004 0.0704 0.102
Schistosoma mansoni hypothetical protein 0.0016 0.0096 0.0216
Echinococcus multilocularis geminin 0.0189 0.4461 0.4461
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0125 0.2848 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1087 0.1574
Echinococcus multilocularis transmembrane protease serine 3 0.0013 0.0031 0.0031
Echinococcus multilocularis enteropeptidase 0.0013 0.0031 0.0031
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0136 0.0306
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0136 0.0136
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0125 0.2848 0.2848
Onchocerca volvulus 0.0058 0.1163 0.4084
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0125 0.2848 1
Echinococcus granulosus death domain containing protein 0.0016 0.0096 0.0096
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0096 0.0139
Echinococcus granulosus Ankyrin 0.0016 0.01 0.01
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0125 0.2848 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Plasmodium vivax RNA helicase-1, putative 0.0125 0.2848 1
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.0096 0.0096
Echinococcus granulosus Mastin 0.0013 0.0031 0.0031
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0125 0.2848 1
Onchocerca volvulus 0.006 0.12 0.4215
Mycobacterium ulcerans hypothetical protein 0.0013 0.0031 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0246 0.591 0.591
Schistosoma mansoni survival motor neuron protein 0.0058 0.1163 0.2607
Loa Loa (eye worm) trypsin family protein 0.0013 0.0031 0.0044
Echinococcus granulosus eukaryotic initiation factor 4A 0.0125 0.2848 0.2848
Echinococcus granulosus glycoprotein Antigen 5 0.0013 0.0031 0.0031
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0136 0.0136
Onchocerca volvulus 0.0013 0.0031 0.0107
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0125 0.2848 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0136 0.0136
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0013 0.0031 0.0044
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0125 0.2848 1
Echinococcus granulosus transmembrane protease serine 3 0.0013 0.0031 0.0031
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0136 0.0136
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0013 0.0031 0.0031
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0125 0.2848 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0125 0.2848 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Brugia malayi Trypsin family protein 0.0013 0.0031 0.0044
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.6758 0.9785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1087 0.1087
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6906 0.6906
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6906 0.6906
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1087 0.2437
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Echinococcus granulosus geminin 0.0189 0.4461 0.4461
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Loa Loa (eye worm) hypothetical protein 0.0016 0.01 0.0144
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0136 0.0197
Plasmodium falciparum eukaryotic initiation factor 4A 0.0125 0.2848 1
Brugia malayi Trypsin family protein 0.0013 0.0031 0.0044
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1087 0.1087
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0704 0.0704
Schistosoma mansoni hypothetical protein 0.0189 0.4461 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0125 0.2848 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0136 0.0136
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0013 0.0031 0.0068
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0136 0.0197
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Onchocerca volvulus 0.0013 0.0031 0.0107
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Brugia malayi Trypsin family protein 0.0013 0.0031 0.0044
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0125 0.2848 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0136 0.0136
Brugia malayi hypothetical protein 0.0286 0.6906 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0125 0.2848 0.2848
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0125 0.2848 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1087 0.1087
Onchocerca volvulus 0.0013 0.0031 0.0107
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Brugia malayi follicle stimulating hormone receptor 0.028 0.6758 0.9785
Schistosoma mansoni netrin receptor unc5 0.0016 0.0096 0.0216
Leishmania major eukaryotic initiation factor 4a, putative 0.0125 0.2848 1
Brugia malayi hypothetical protein 0.0013 0.0031 0.0044
Onchocerca volvulus 0.0013 0.0031 0.0107
Brugia malayi isocitrate dehydrogenase 0.0018 0.0136 0.0197
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.0096 0.0096
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0013 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0013 0.0031 0.0044
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Schistosoma mansoni hypothetical protein 0.0013 0.0031 0.0068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1087 0.1087
Brugia malayi Trypsin family protein 0.0013 0.0031 0.0044
Brugia malayi Trypsin-like protease protein 5 0.0013 0.0031 0.0044
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0125 0.2848 0.6384
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0704 0.1579
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0704 0.0704
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0125 0.2848 0.5
Echinococcus granulosus enteropeptidase 0.0013 0.0031 0.0031
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0013 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0125 0.2848 0.4124
Echinococcus granulosus netrin receptor unc 5 0.0016 0.0096 0.0096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1087 0.2437
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Schistosoma mansoni hypothetical protein 0.0013 0.0031 0.0068
Onchocerca volvulus 0.0013 0.0031 0.0107
Schistosoma mansoni hypothetical protein 0.0058 0.1163 0.2607
Onchocerca volvulus Netrin receptor homolog 0.0016 0.0096 0.0338
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.0096 0.0216
Echinococcus granulosus nuclear factor of activated T cells 5 0.0246 0.591 0.591
Schistosoma mansoni cercarial elastase (S01 family) 0.0013 0.0031 0.0068
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0125 0.2848 0.6384
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.01 0.0224
Loa Loa (eye worm) hypothetical protein 0.0286 0.6906 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1087 0.2437
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Echinococcus multilocularis Mastin 0.0013 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0016 0.0096 0.0139
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0096 0.0139
Schistosoma mansoni cellular tumor antigen P53 0.006 0.12 0.2691
Echinococcus multilocularis Ankyrin 0.0016 0.01 0.01
Echinococcus multilocularis netrin receptor unc 5 0.0016 0.0096 0.0096
Brugia malayi Protein kinase domain containing protein 0.0016 0.0096 0.0139
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0013 0.0031 0.0068
Brugia malayi eukaryotic initiation factor 4A 0.0125 0.2848 0.4124
Schistosoma mansoni hypothetical protein 0.004 0.0704 0.1579
Schistosoma mansoni hypothetical protein 0.0189 0.4461 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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) 112.2018 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

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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