Detailed information for compound 333621

Basic information

Technical information
  • TDR Targets ID: 333621
  • Name: N-(diaminomethylidene)-5-(2-phenoxyphenyl)fur an-2-carboxamide
  • MW: 321.33 | Formula: C18H15N3O3
  • H donors: 2 H acceptors: 1 LogP: 3.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NC(=O)c1ccc(o1)c1ccccc1Oc1ccccc1
  • InChi: 1S/C18H15N3O3/c19-18(20)21-17(22)16-11-10-15(24-16)13-8-4-5-9-14(13)23-12-6-2-1-3-7-12/h1-11H,(H4,19,20,21,22)
  • InChiKey: QBDSPUNXTSREEC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(diaminomethylene)-5-(2-phenoxyphenyl)furan-2-carboxamide
  • N-(diaminomethylene)-5-(2-phenoxyphenyl)-2-furancarboxamide
  • N-[bis(azanyl)methylidene]-5-(2-phenoxyphenyl)furan-2-carboxamide
  • N-(diaminomethylene)-5-(2-phenoxyphenyl)-2-furamide
  • N-(diaminomethylidene)-5-[2-(phenoxy)phenyl]furan-2-carboxamide
  • N-(diaminomethylene)-5-[2-(phenoxy)phenyl]furan-2-carboxamide
  • N-(diaminomethylene)-5-[2-(phenoxy)phenyl]-2-furancarboxamide
  • N-(diaminomethylene)-5-[2-(phenoxy)phenyl]-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
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 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
Echinococcus multilocularis 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
Loa Loa (eye worm) hypothetical protein 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
Loa Loa (eye worm) hypothetical protein 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 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
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 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
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 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
Schistosoma japonicum Sodium/hydrogen exchanger 2, putative 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 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
Echinococcus multilocularis 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 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
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 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 Sodium/hydrogen exchanger 2, 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 Carboxylesterase LipT 0.0067 0.0396 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0067 0.0396 0.0396
Onchocerca volvulus 0.0067 0.0396 1
Brugia malayi hypothetical protein 0.0067 0.0396 0.0031
Echinococcus multilocularis acetylcholinesterase 0.0399 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031
Schistosoma mansoni neuroligin 3 (S09 family) 0.0067 0.0396 0.0031
Brugia malayi Carboxylesterase family protein 0.0067 0.0396 0.0031
Loa Loa (eye worm) carboxylesterase 0.0067 0.0396 0.0031
Loa Loa (eye worm) carboxylesterase 0.0399 1 1
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0066 0.0367 0.0367
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0396 0.0031
Echinococcus multilocularis para nitrobenzyl esterase 0.0067 0.0396 0.0396
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0066 0.0367 0.0367
Echinococcus multilocularis sodium:hydrogen exchanger 0.0066 0.0367 0.0367
Echinococcus granulosus para nitrobenzyl esterase 0.0067 0.0396 0.0396
Schistosoma mansoni gliotactin 0.0067 0.0396 0.0031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031
Echinococcus granulosus BC026374 protein S09 family 0.0067 0.0396 0.0396
Brugia malayi Carboxylesterase family protein 0.0067 0.0396 0.0031
Onchocerca volvulus 0.0067 0.0396 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0396 0.0031
Brugia malayi Carboxylesterase family protein 0.0067 0.0396 0.0031
Echinococcus granulosus sodium:hydrogen exchanger 0.0066 0.0367 0.0367
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.0396 0.0031
Brugia malayi Carboxylesterase family protein 0.0399 1 1
Echinococcus multilocularis acetylcholinesterase 0.0399 1 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0066 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0066 0.0367 0.0367
Brugia malayi Carboxylesterase family protein 0.0067 0.0396 0.0031
Echinococcus granulosus sodium:hydrogen exchanger 0.0066 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0399 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0067 0.0396 0.5
Onchocerca volvulus 0.0067 0.0396 1
Loa Loa (eye worm) hypothetical protein 0.0399 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0067 0.0396 0.0396
Onchocerca volvulus 0.0067 0.0396 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0399 1 1
Echinococcus multilocularis neuroligin 0.0067 0.0396 0.0396
Echinococcus multilocularis sodium:hydrogen exchanger 0.0066 0.0367 0.0367
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0067 0.0396 0.5
Onchocerca volvulus 0.0067 0.0396 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0067 0.0396 0.0031
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0067 0.0396 0.5
Giardia lamblia Sodium/hydrogen exchanger 3 0.0066 0.0367 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0067 0.0396 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0399 1 1
Echinococcus granulosus acetylcholinesterase 0.0399 1 1
Schistosoma mansoni acetylcholinesterase 0.0067 0.0396 0.0031
Echinococcus multilocularis carboxylesterase 5A 0.0399 1 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0066 0.0367 0.0367
Echinococcus granulosus carboxylesterase 5A 0.0399 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0067 0.0396 0.0396
Loa Loa (eye worm) carboxylesterase 0.0067 0.0396 0.0031
Mycobacterium ulcerans carboxylesterase, LipT 0.0067 0.0396 0.5
Echinococcus granulosus neuroligin 0.0067 0.0396 0.0396
Echinococcus granulosus acetylcholinesterase 0.0399 1 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0066 0.0367 0.0367
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031
Loa Loa (eye worm) hypothetical protein 0.0067 0.0396 0.0031

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.1 uM Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells ChEMBL. 15828827
IC50 (binding) = 1.1 uM Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells 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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