Detailed information for compound 272586

Basic information

Technical information
  • TDR Targets ID: 272586
  • Name: N-[[6-[2-(diaminomethylideneamino)-1,3-thiazo l-4-yl]pyridin-2-yl]methyl]oxolane-2-carboxam ide
  • MW: 346.407 | Formula: C15H18N6O2S
  • H donors: 3 H acceptors: 3 LogP: 0.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1scc(n1)c1cccc(n1)CNC(=O)C1CCCO1
  • InChi: 1S/C15H18N6O2S/c16-14(17)21-15-20-11(8-24-15)10-4-1-3-9(19-10)7-18-13(22)12-5-2-6-23-12/h1,3-4,8,12H,2,5-7H2,(H,18,22)(H4,16,17,20,21)
  • InChiKey: HBKLVWVODJOEPK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[[6-(2-guanidinothiazol-4-yl)-2-pyridyl]methyl]tetrahydrofuran-2-carboxamide
  • N-[[6-(2-guanidino-4-thiazolyl)-2-pyridyl]methyl]-2-tetrahydrofurancarboxamide
  • N-[[6-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]pyridin-2-yl]methyl]oxolane-2-carboxamide

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 tubulin subunit beta 0.0045 0.0301 0.0476
Echinococcus granulosus tubulin alpha chain 0.0046 0.0336 0.0531
Echinococcus granulosus tubulin alpha chain 0.0046 0.0336 0.0531
Echinococcus multilocularis RUN 0.0062 0.0699 0.1107
Echinococcus granulosus Tubulin beta 2C chain 0.0045 0.0301 0.0476
Loa Loa (eye worm) tubulin beta-1 chain 0.0045 0.0301 0.0301
Plasmodium vivax tubulin alpha chain, putative 0.0046 0.0336 0.3311
Echinococcus multilocularis tubulin subunit beta 0.0045 0.0301 0.0476
Schistosoma mansoni rab6-interacting 0.0062 0.0699 0.1107
Loa Loa (eye worm) hypothetical protein 0.0033 0.0039 0.0039
Loa Loa (eye worm) alpha-tubulin 0.0046 0.0336 0.0336
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0047 0.0074
Brugia malayi hypothetical protein 0.0049 0.0392 0.0392
Echinococcus granulosus beta tubulin 0.0045 0.0301 0.0476
Loa Loa (eye worm) BEN-1 protein 0.0045 0.0301 0.0301
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0032 0.0001 0.0002
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0032 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0046 0.0336 0.0336
Brugia malayi Tubulin beta-1 chain 0.0045 0.0301 0.0301
Schistosoma mansoni lipoxygenase 0.0193 0.3734 0.5909
Loa Loa (eye worm) hypothetical protein 0.0075 0.1011 0.1011
Leishmania major beta tubulin 0.0045 0.0301 0.297
Loa Loa (eye worm) tubulin alpha chain 0.0046 0.0336 0.0336
Brugia malayi Isocitrate dehydrogenase 0.0032 0.0001 0.0001
Echinococcus granulosus tubulin alpha chain 0.0046 0.0336 0.0531
Echinococcus multilocularis beta tubulin 0.0045 0.0301 0.0476
Loa Loa (eye worm) BEN-1 protein 0.0045 0.0301 0.0301
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Trichomonas vaginalis tubulin epsilon chain, putative 0.0046 0.0336 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0045 0.0301 0.0301
Brugia malayi hypothetical protein 0.0062 0.0699 0.0699
Echinococcus multilocularis Tubulin alpha 1 chain 0.0046 0.0336 0.0531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0298 0.0472
Echinococcus multilocularis tubulin alpha chain 0.0046 0.0336 0.0531
Plasmodium vivax tubulin alpha chain, putative 0.0046 0.0336 0.3311
Plasmodium vivax tubulin beta chain, putative 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0047 0.0074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0298 0.0298
Plasmodium falciparum alpha tubulin 1 0.0046 0.0336 0.3311
Echinococcus granulosus tubulin subunit TubB 0.0046 0.0336 0.0531
Echinococcus granulosus RUN 0.0062 0.0699 0.1107
Echinococcus multilocularis tubulin beta 1 chain 0.0045 0.0301 0.0476
Schistosoma mansoni tubulin subunit beta 0.0045 0.0301 0.0476
Echinococcus multilocularis tubulin subunit TubB 0.0046 0.0336 0.0531
Plasmodium vivax multidomain scavenger receptor, putative 0.0062 0.0699 0.6914
Trichomonas vaginalis tubulin epsilon chain, putative 0.0045 0.0301 0.8837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0298 0.0472
Echinococcus granulosus beta tubulin 0.0045 0.0301 0.0476
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.063 0.063
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1592 0.1592
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Echinococcus multilocularis tubulin alpha chain 0.0046 0.0336 0.0531
Plasmodium falciparum tubulin beta chain 0.0045 0.0301 0.297
Echinococcus granulosus tubulin alpha 1C chain 0.0046 0.0336 0.0531
Leishmania major beta tubulin 0.0045 0.0301 0.297
Echinococcus multilocularis tubulin alpha 3 chain 0.0046 0.0336 0.0531
Giardia lamblia Alpha-tubulin 0.0046 0.0336 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0046 0.0336 0.0531
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1592 0.1592
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0298 0.0472
Trichomonas vaginalis tubulin beta chain, putative 0.0046 0.0336 1
Schistosoma mansoni tubulin subunit beta 0.0045 0.0301 0.0476
Echinococcus multilocularis tubulin alpha 1C chain 0.0046 0.0336 0.0531
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Loa Loa (eye worm) hypothetical protein 0.01 0.1592 0.1592
Echinococcus multilocularis Tubulin alpha 1 chain 0.0046 0.0336 0.0531
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0855 0.0855
Trichomonas vaginalis tubulin epsilon chain, putative 0.0045 0.0301 0.8837
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Brugia malayi hypothetical protein 0.0062 0.0699 0.0699
Echinococcus granulosus alpha tubulin 0.0046 0.0336 0.0531
Echinococcus granulosus tubulin beta 1 chain 0.0045 0.0301 0.0476
Echinococcus granulosus Tubulin beta 2C chain 0.0045 0.0301 0.0476
Leishmania major beta tubulin 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Echinococcus granulosus Tubulin alpha 1 chain 0.0046 0.0336 0.0531
Toxoplasma gondii beta tubulin 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0298 0.0472
Toxoplasma gondii alpha tubulin TUBA1 0.0046 0.0336 0.3311
Leishmania major beta tubulin 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Echinococcus multilocularis Tubulin beta 2C chain 0.0045 0.0301 0.0476
Schistosoma mansoni hypothetical protein 0.0069 0.0855 0.1353
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0046 0.0336 1
Brugia malayi beta-tubulin, identical 0.0045 0.0301 0.0301
Trichomonas vaginalis tubulin beta chain, putative 0.0046 0.0336 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0046 0.0336 0.0531
Trypanosoma brucei alpha tubulin 0.0046 0.0336 0.3311
Leishmania major beta tubulin 0.0045 0.0301 0.297
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Schistosoma mansoni rab6-interacting 0.0062 0.0699 0.1107
Trypanosoma brucei beta tubulin 0.0045 0.0301 0.297
Schistosoma mansoni tubulin subunit alpha 0.0046 0.0336 0.0531
Trypanosoma brucei beta tubulin 0.0045 0.0301 0.297
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Echinococcus granulosus geminin 0.0177 0.3366 0.5326
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0298 0.0298
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0298 0.0472
Brugia malayi tubulin alpha chain - mouse 0.0046 0.0336 0.0336
Echinococcus granulosus peroxisome assembly protein 26 0.0046 0.0336 0.0531
Schistosoma mansoni loxhd1 0.0062 0.0699 0.1107
Echinococcus multilocularis Tubulin beta 2C chain 0.0045 0.0301 0.0476
Schistosoma mansoni tubulin subunit alpha 0.0046 0.0336 0.0531
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1592 0.1592
Echinococcus granulosus Tubulin beta 2C chain 0.0045 0.0301 0.0476
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0001 0.0002
Schistosoma mansoni tubulin subunit beta 0.0045 0.0301 0.0476
Trichomonas vaginalis tubulin beta chain, putative 0.0046 0.0336 1
Toxoplasma gondii alpha-tubulin I, putative 0.0046 0.0336 0.3311
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0033 0.0039 0.0039
Toxoplasma gondii beta-1 tubulin, putative 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Brugia malayi Tubulin alpha-2 chain 0.0046 0.0336 0.0336
Schistosoma mansoni alpha tubulin 0.0046 0.0336 0.0531
Trichomonas vaginalis tubulin beta chain, putative 0.0045 0.0301 0.8837
Trypanosoma cruzi beta tubulin, putative 0.0045 0.0301 0.297
Echinococcus granulosus tubulin beta 4A class IVa 0.0045 0.0301 0.0476
Trichomonas vaginalis tubulin alpha chain, putative 0.0045 0.0301 0.8837
Echinococcus granulosus tubulin alpha chain 0.0046 0.0336 0.0531
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.1011 1
Schistosoma mansoni tubulin subunit beta 0.0045 0.0301 0.0476
Brugia malayi Cytochrome P450 family protein 0.0059 0.063 0.063
Schistosoma mansoni hypothetical protein 0.0034 0.0047 0.0074
Leishmania major beta tubulin 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Leishmania major beta tubulin 0.0045 0.0301 0.297
Plasmodium vivax ataxin-2 like protein, putative 0.0075 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0855 0.0855
Schistosoma mansoni hypothetical protein 0.0177 0.3366 0.5326
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Trichomonas vaginalis tubulin, putative 0.0045 0.0301 0.8837
Plasmodium falciparum LCCL domain-containing protein 0.0062 0.0699 0.6914
Loa Loa (eye worm) tubulin alpha-2 chain 0.0046 0.0336 0.0336
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Entamoeba histolytica tubulin alpha-1 chain 0.0046 0.0336 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0298 0.0472
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0699 0.0699
Treponema pallidum ATP-binding protein (ylxH-1) 0.0449 0.9689 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0075 0.1011 1
Echinococcus granulosus Polycystic kidney disease protein 0.0062 0.0699 0.1107
Giardia lamblia Alpha-tubulin 0.0046 0.0336 1
Leishmania major beta tubulin 0.0045 0.0301 0.297
Brugia malayi Doublecortin family protein 0.0062 0.0699 0.0699
Trichomonas vaginalis tubulin beta chain, putative 0.0046 0.0336 1
Echinococcus granulosus tubulin alpha 3 chain 0.0046 0.0336 0.0531
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0045 0.0301 0.0476
Loa Loa (eye worm) alpha-tubulin 0.0046 0.0336 0.0336
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0001 0.0002
Echinococcus multilocularis tubulin alpha chain 0.0046 0.0336 0.0531
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0298 0.0472
Trichomonas vaginalis tubulin epsilon chain, putative 0.0046 0.0336 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0062 0.0699 0.1107
Schistosoma mansoni lipoxygenase 0.0304 0.632 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0062 0.0699 0.1107
Toxoplasma gondii LsmAD domain-containing protein 0.0075 0.1011 1
Leishmania major beta tubulin 0.0045 0.0301 0.297
Loa Loa (eye worm) tubulin alpha 2 0.0033 0.0039 0.0039
Trichomonas vaginalis tubulin beta chain, putative 0.0046 0.0336 1
Schistosoma mansoni hypothetical protein 0.0177 0.3366 0.5326
Trypanosoma brucei alpha tubulin 0.0046 0.0336 0.3311
Brugia malayi alpha-tubulin 0.0046 0.0336 0.0336
Brugia malayi Tubulin alpha-2 chain 0.0046 0.0336 0.0336
Echinococcus multilocularis beta tubulin 0.0045 0.0301 0.0476
Leishmania major beta tubulin 0.0045 0.0301 0.297
Echinococcus multilocularis peroxisome assembly protein 26 0.0046 0.0336 0.0531
Echinococcus multilocularis Tubulin beta 2C chain 0.0045 0.0301 0.0476
Leishmania major beta tubulin 0.0045 0.0301 0.297
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0304 0.632 1
Echinococcus multilocularis geminin 0.0177 0.3366 0.5326
Onchocerca volvulus 0.0462 1 1
Schistosoma mansoni hypothetical protein 0.0062 0.0699 0.1107
Schistosoma mansoni alpha tubulin 0.0046 0.0336 0.0531
Brugia malayi tubulin alpha-2 chain 0.0046 0.0336 0.0336
Trichomonas vaginalis tubulin gamma chain, putative 0.0045 0.0301 0.8837
Loa Loa (eye worm) isocitrate dehydrogenase 0.0032 0.0001 0.0001
Trypanosoma brucei alpha tubulin 0.0046 0.0336 0.3311
Leishmania major alpha tubulin 0.0046 0.0336 0.3311
Echinococcus multilocularis Tubulin beta 2C chain 0.0045 0.0301 0.0476
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0032 0.0001 0.0002
Trichomonas vaginalis tubulin beta chain, putative 0.0046 0.0336 1
Schistosoma mansoni alpha tubulin 0.0046 0.0336 0.0531
Echinococcus granulosus tubulin alpha 1C chain 0.0046 0.0336 0.0531
Echinococcus granulosus tubulin subunit beta 0.0045 0.0301 0.0476
Echinococcus granulosus Tubulin beta 2C chain 0.0045 0.0301 0.0476
Echinococcus granulosus tubulin alpha chain 0.0046 0.0336 0.0531
Echinococcus multilocularis Polycystic kidney disease protein 0.0062 0.0699 0.1107
Loa Loa (eye worm) tubulin alpha chain 0.0046 0.0336 0.0336
Echinococcus granulosus Tubulin beta 2C chain 0.0045 0.0301 0.0476
Brugia malayi Tubulin alpha chain 0.0046 0.0336 0.0336
Schistosoma mansoni polycystin 1-related 0.0062 0.0699 0.1107
Brugia malayi isocitrate dehydrogenase 0.0032 0.0001 0.0001
Trypanosoma cruzi alpha tubulin, putative 0.0046 0.0336 0.3311
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0032 0.0001 0.5
Schistosoma mansoni tubulin subunit beta 0.0045 0.0301 0.0476
Loa Loa (eye worm) tubulin beta chain 0.0045 0.0301 0.0301
Loa Loa (eye worm) doublecortin family protein 0.0062 0.0699 0.0699
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.1011 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.1011 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0062 0.0699 0.1107
Echinococcus multilocularis isocitrate dehydrogenase 0.0032 0.0001 0.0002
Echinococcus multilocularis Tubulin alpha 1 chain 0.0046 0.0336 0.0531
Trypanosoma brucei beta tubulin 0.0045 0.0301 0.297
Loa Loa (eye worm) hypothetical protein 0.0462 1 1
Echinococcus multilocularis hypothetical protein 0.0046 0.0336 0.0531
Leishmania major beta tubulin 0.0045 0.0301 0.297
Loa Loa (eye worm) hypothetical protein 0.0062 0.0699 0.0699
Echinococcus multilocularis Tubulin beta 2C chain 0.0045 0.0301 0.0476
Loa Loa (eye worm) tubulin alpha 2 0.0033 0.0039 0.0039
Leishmania major hypothetical protein, conserved 0.0075 0.1011 1
Schistosoma mansoni tubulin subunit alpha 0.0046 0.0336 0.0531
Brugia malayi hypothetical protein 0.0075 0.1011 0.1011
Echinococcus multilocularis lipoxygenase domain containing protein 0.0062 0.0699 0.1107
Echinococcus multilocularis tubulin alpha 1C chain 0.0046 0.0336 0.0531
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0032 0.0001 0.0002
Echinococcus multilocularis tubulin alpha chain 0.0046 0.0336 0.0531
Echinococcus multilocularis tubulin alpha 3 chain 0.0046 0.0336 0.0531
Echinococcus granulosus tubulin alpha 3 chain 0.0046 0.0336 0.0531
Loa Loa (eye worm) tubulin beta-2A chain 0.0045 0.0301 0.0301
Echinococcus multilocularis tubulin alpha chain 0.0046 0.0336 0.0531
Trypanosoma brucei alpha tubulin 0.0046 0.0336 0.3311
Toxoplasma gondii beta-tubulin, putative 0.0045 0.0301 0.297
Loa Loa (eye worm) beta-tubulin 0.0045 0.0301 0.0301
Trypanosoma brucei beta tubulin 0.0045 0.0301 0.297
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0304 0.632 1
Plasmodium falciparum alpha tubulin 2 0.0046 0.0336 0.3311
Entamoeba histolytica tubulin alpha chain, putative 0.0046 0.0336 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 6 % Inhibition of histamine stimulated gastric acid secretion in lumen perfused anaesthetized rats after 1 mg/kg intravenous dose ChEMBL. 7904648
Inhibition (functional) = 7 % H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium at 1x10E-6 g/mL. ChEMBL. 7904648
Inhibition (functional) = 7 % H2 receptor antagonistic activity against histamine stimulated chronotropic response in isolated guinea pig right atrium at 1x10E-6 g/mL. ChEMBL. 7904648
Inhibition (functional) < 66 % Inhibition of aspirin induced gastric lesions in rats after peroral dose of 32 mg/kg ChEMBL. 7904648

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

1 literature reference was collected for this gene.

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