Detailed information for compound 335940

Basic information

Technical information
  • TDR Targets ID: 335940
  • Name: N-(diaminomethylidene)-5-(2,5-dimethylphenyl) furan-2-carboxamide
  • MW: 257.288 | Formula: C14H15N3O2
  • H donors: 2 H acceptors: 1 LogP: 2.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NC(=O)c1ccc(o1)c1cc(C)ccc1C)N
  • InChi: 1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(19-11)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
  • InChiKey: XDPDCJJAFHVZKW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(diaminomethylene)-5-(2,5-dimethylphenyl)furan-2-carboxamide
  • N-(diaminomethylene)-5-(2,5-dimethylphenyl)-2-furancarboxamide
  • N-[bis(azanyl)methylidene]-5-(2,5-dimethylphenyl)furan-2-carboxamide
  • N-(diaminomethylene)-5-(2,5-dimethylphenyl)-2-furamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens solute carrier family 9, subfamily A (NHE1, cation proton antiporter 1), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Onchocerca volvulus Sodium\/hydrogen exchanger homolog Get druggable targets OG5_127664 All targets in OG5_127664
Onchocerca volvulus Sodium\/hydrogen exchanger homolog Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 Get druggable targets OG5_127664 All targets in OG5_127664
Brugia malayi sodium/hydrogen exchanger 3 family protein Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma mansoni sodium/hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma japonicum Sodium/hydrogen exchanger 2, putative Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) NHE-3 Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127664 All targets in OG5_127664
Giardia lamblia Sodium/hydrogen exchanger 3 Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) sodium/hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Onchocerca volvulus Sodium\/hydrogen exchanger homolog Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma japonicum Sodium/hydrogen exchanger 2, putative Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 Get druggable targets OG5_127664 All targets in OG5_127664
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127664 All targets in OG5_127664
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) Get druggable targets OG5_127664 All targets in OG5_127664
Schistosoma japonicum ko:K03316 monovalent cation:H+ antiporter, CPA1 family, putative Get druggable targets OG5_127664 All targets in OG5_127664

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
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0378 0.2231 0.5
Giardia lamblia Hypothetical protein 0.0146 0 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0809 0.6368 0.6368
Toxoplasma gondii GAF domain-containing protein 0.0378 0.2231 0.2594
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1187 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1187 1 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0378 0.2231 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1041 0.8598 0.8598
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Loa Loa (eye worm) hypothetical protein 0.0524 0.3632 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Loa Loa (eye worm) hypothetical protein 0.0378 0.2231 0.6141
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0524 0.3632 0.3632
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0524 0.3632 0.3632
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1187 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1187 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1041 0.8598 0.8598
Mycobacterium leprae conserved hypothetical protein 0.0378 0.2231 0.5
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0524 0.3632 0.3632
Toxoplasma gondii hypothetical protein 0.0378 0.2231 0.2594
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1187 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1187 1 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1187 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0809 0.6368 0.6368
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0524 0.3632 1
Trichomonas vaginalis conserved hypothetical protein 0.0378 0.2231 0.2231
Giardia lamblia hypothetical protein 0.0146 0 0.5
Toxoplasma gondii hypothetical protein 0.0378 0.2231 0.2594
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Mycobacterium ulcerans putative regulatory protein 0.0378 0.2231 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1187 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1187 1 1
Mycobacterium ulcerans putative regulatory protein 0.0378 0.2231 0.5
Toxoplasma gondii hypothetical protein 0.1041 0.8598 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0146 0 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1041 0.8598 0.8598
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0378 0.2231 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1187 1 1
Plasmodium falciparum GAF domain-related protein, putative 0.0378 0.2231 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0524 0.3632 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0809 0.6368 0.6368
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0524 0.3632 0.3632
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0524 0.3632 0.3632
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1187 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0524 0.3632 0.3632
Plasmodium vivax hypothetical protein, conserved 0.0378 0.2231 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.65 uM Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells ChEMBL. 15828827
IC50 (binding) = 0.65 uM Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells ChEMBL. 15828827
RPP (functional) = 31 % In vitro cardioprotective effect of the compound was determined in isolated ischemic rat heart model as recovery of rate pressure product (RPP) at 10 uM ChEMBL. 15828827

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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