Detailed information for compound 1247336

Basic information

Technical information
  • TDR Targets ID: 1247336
  • Name: 5,6-di(piperidin-1-yl)-[1,2,5]oxadiazolo[3,4- e]pyrazine
  • MW: 288.348 | Formula: C14H20N6O
  • H donors: 0 H acceptors: 4 LogP: 2.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)c1nc2nonc2nc1N1CCCCC1
  • InChi: 1S/C14H20N6O/c1-3-7-19(8-4-1)13-14(20-9-5-2-6-10-20)16-12-11(15-13)17-21-18-12/h1-10H2
  • InChiKey: AQSWVPYBAFCHAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,6-bis(1-piperidyl)-[1,2,5]oxadiazolo[3,4-e]pyrazine
  • 5,6-dipiperidinofurazano[3,4-e]pyrazine
  • BIM-0025192.P001
  • CBMicro_025153
  • Oprea1_205529
  • MLS000106818
  • SMR000111194
  • ZINC00439191

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0003 0.0011
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0299 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0003 0.0003
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0296 0.9352
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0424 0.2601 1
Echinococcus multilocularis smad 0.0008 0.0006 0.0006
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0003 0.0011
Schistosoma mansoni hypothetical protein 0.0356 0.2177 0.837
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0006 0.0006
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0003 0.0011
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0409 0.1562
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0012
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0006 0.0024
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0008 0.0006 0.0022
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0831 0.3871
Loa Loa (eye worm) hypothetical protein 0.0034 0.0165 0.0625
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0703 0.2694
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0008 0.0006 0.0012
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.001 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0352 0.1353
Schistosoma mansoni cpg binding protein 0.003 0.0145 0.0559
Echinococcus multilocularis GPCR, family 2 0.0034 0.0165 0.0165
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.093 0.5
Echinococcus multilocularis expressed protein 0.0008 0.0006 0.0006
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0034 0.0165 0.0635
Schistosoma mansoni hypothetical protein 0.0356 0.2177 0.837
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0299 0.0525
Plasmodium vivax ataxin-2 like protein, putative 0.0055 0.0299 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0165 0.0165
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0008 0.0006 0.0012
Echinococcus granulosus Smad4 0.0008 0.0006 0.0024
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0352 0.1344
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0008 0.0006 0.0012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.0618 0.2369
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0003 0.0011
Echinococcus granulosus geminin 0.0356 0.2177 0.837
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0006 0.0012
Plasmodium falciparum ataxin-2 like protein, putative 0.0055 0.0299 0.5
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0003 0.0011
Schistosoma mansoni cpg binding protein 0.003 0.0145 0.0559
Echinococcus granulosus GPCR family 2 0.0034 0.0165 0.0635
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.113 0.113
Schistosoma mansoni smad 0.0008 0.0006 0.0024
Mycobacterium ulcerans hypothetical protein 0.0156 0.093 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0272 0.0358
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0011 0.0031
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0006 0.0024
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.0006 0.0022
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0006 0.0012
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0165 0.0635
Onchocerca volvulus 0.0029 0.0135 0.1507
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.0006 0.0022
Brugia malayi MH2 domain containing protein 0.0008 0.0006 0.0013
Brugia malayi Smad1 0.0008 0.0006 0.0013
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0003 0.0011
Brugia malayi hypothetical protein 0.0148 0.0881 0.338
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0003 0.0011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0003 0.0011
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0424 0.2601 1
Brugia malayi RNA binding protein 0.0064 0.0352 0.1344
Loa Loa (eye worm) Smad1 0.0008 0.0006 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0352 0.1353
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0006 0.0022
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0003 0.0011
Schistosoma mansoni hypothetical protein 0.0025 0.0109 0.0421
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0008 0.0006 0.0022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.0618 0.2369
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0008 0.0006 0.0012
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0008 0.0006 0.0012
Loa Loa (eye worm) RNA binding protein 0.0064 0.0352 0.1344
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0008 0.0006 0.0022
Brugia malayi phosphoinositide-dependent protein kinase I 0.0424 0.2601 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0003 0.0011
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0424 0.2601 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.1805 1
Schistosoma mansoni coup transcription factor 0.0008 0.0003 0.0011
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0003 0.0011
Echinococcus granulosus expressed protein 0.0008 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.0148 0.0881 0.338
Brugia malayi MH1 domain containing protein 0.0008 0.0006 0.0013
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0165 0.0625
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0008 0.0006 0.0006
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.0006 0.0022
Toxoplasma gondii LsmAD domain-containing protein 0.0055 0.0299 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0165 0.0635
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0006 0.0022
Schistosoma mansoni hypothetical protein 0.0034 0.0165 0.0635
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0006 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.113 0.4344
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.0006 0.0022
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.1805 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0337 0.1295
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.0006 0.0022
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0011 0.0042
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0703 0.2694
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.0006 0.0006
Echinococcus multilocularis Smad4 0.0008 0.0006 0.0006
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0165 0.0625
Onchocerca volvulus 0.0148 0.0881 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0135 0.0509
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.113 0.113
Onchocerca volvulus 0.0008 0.0006 0.0034
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0424 0.2601 0.2601
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0003 0.0011
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0831 0.3531
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.113 0.4344
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0188 0.113 0.4338
Loa Loa (eye worm) hypothetical protein 0.0106 0.0618 0.2369
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0012
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0073 0.0409 0.1562
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0165 0.0625
Echinococcus granulosus smad 0.0008 0.0006 0.0024
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0165 0.0165
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.1805 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0034 0.0165 0.0635
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.113 0.4344
Brugia malayi MH2 domain containing protein 0.012 0.0703 0.2694
Schistosoma mansoni Smad4 0.0008 0.0006 0.0024
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0024
Schistosoma mansoni cpg binding protein 0.0029 0.0135 0.052
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0352 0.0352
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0003 0.0003
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0003 0.0011
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0352 0.1353
Brugia malayi hypothetical protein 0.0008 0.0006 0.0012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0003 0.0003
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0352 0.1344
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0008 0.0006 0.0012
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.0006 0.0022
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.0006 0.0006
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0008 0.0006 0.0012
Trypanosoma brucei PAB1-binding protein , putative 0.0055 0.0299 0.0525
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.0006 0.0006
Brugia malayi G-protein alpha subunit 0.0008 0.0006 0.0012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0003 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0352 0.1353
Onchocerca volvulus 0.0008 0.0006 0.0034
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0012
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0006 0.0013
Schistosoma mansoni hypothetical protein 0.0034 0.0165 0.0635
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0012
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.0006 0.0022
Trichomonas vaginalis AGC family protein kinase 0.0424 0.2601 1
Brugia malayi MH2 domain containing protein 0.0008 0.0006 0.0013
Echinococcus granulosus tar DNA binding protein 0.0064 0.0352 0.1353
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.0618 0.2369
Entamoeba histolytica protein kinase, putative 0.0424 0.2601 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0025 0.0109 0.0109
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0024
Brugia malayi TAR-binding protein 0.0064 0.0352 0.1344
Schistosoma mansoni serine/threonine protein kinase 0.0424 0.2601 1
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0008 0.0006 0.0012
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.0006 0.0022
Echinococcus granulosus cpg binding protein 0.003 0.0145 0.0559
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0188 0.113 0.4338
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.0006 0.0022
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0003 0.0003
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.0006 0.0022
Loa Loa (eye worm) G protein alpha subunit 3 0.0008 0.0006 0.0012
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0135 0.0509
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0008 0.0006 0.0012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0003 0.0003
Brugia malayi hypothetical protein 0.0036 0.0177 0.0671
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.0006 0.0022
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0003 0.0011
Echinococcus multilocularis cpg binding protein 0.003 0.0145 0.0145
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0003 0.0003
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0003 0.0011
Trichomonas vaginalis AGC family protein kinase 0.0424 0.2601 1
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0352 0.1353
Onchocerca volvulus 0.0008 0.0006 0.0034
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.1805 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.113 0.4344
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0003 0.0011
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0006 0.0006
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0003 0.0011
Trypanosoma cruzi PAB1-binding protein , putative 0.0055 0.0299 0.0525
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.0006 0.0022
Echinococcus multilocularis geminin 0.0356 0.2177 0.2177
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0006 0.0013
Loa Loa (eye worm) hypothetical protein 0.0008 0.0006 0.0012
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0831 0.3871
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.0006 0.0022
Brugia malayi hypothetical protein 0.0055 0.0299 0.114
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.113 0.4344
Trichomonas vaginalis AGC family protein kinase 0.0424 0.2601 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0025 0.0109 0.0421
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0003 0.0011
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0008 0.0006 0.0012
Brugia malayi Protein kinase domain containing protein 0.0424 0.2601 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0003 0.0011
Schistosoma mansoni smad1 5 8 and 0.0008 0.0006 0.0024
Brugia malayi MH1 domain containing protein 0.0008 0.0006 0.0013
Schistosoma mansoni hypothetical protein 0.0073 0.0409 0.1571
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0003 0.0011
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0352 0.1344
Loa Loa (eye worm) hypothetical protein 0.0055 0.0299 0.114

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 22.3872 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 (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 56.2341 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.