Detailed information for compound 335369

Basic information

Technical information
  • TDR Targets ID: 335369
  • Name: N-(diaminomethylidene)-5-(2-fluoro-5-methylph enyl)furan-2-carboxamide
  • MW: 261.252 | Formula: C13H12FN3O2
  • H donors: 2 H acceptors: 1 LogP: 2.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=NC(=O)c1ccc(o1)c1cc(C)ccc1F)N
  • InChi: 1S/C13H12FN3O2/c1-7-2-3-9(14)8(6-7)10-4-5-11(19-10)12(18)17-13(15)16/h2-6H,1H3,(H4,15,16,17,18)
  • InChiKey: TUCYQLQQRNNHGI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(diaminomethylene)-5-(2-fluoro-5-methyl-phenyl)furan-2-carboxamide
  • N-(diaminomethylene)-5-(2-fluoro-5-methylphenyl)-2-furancarboxamide
  • N-[bis(azanyl)methylidene]-5-(2-fluoro-5-methyl-phenyl)furan-2-carboxamide
  • N-(diaminomethylene)-5-(2-fluoro-5-methyl-phenyl)-2-furamide
  • N-(diaminomethylidene)-5-(2-fluoro-5-methyl-phenyl)furan-2-carboxamide

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
Giardia lamblia Sodium/hydrogen exchanger 3 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 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
Schistosoma japonicum Sodium/hydrogen exchanger 2, putative 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) hypothetical protein 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 multilocularis 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
Echinococcus multilocularis 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 granulosus sodium:hydrogen exchanger 2 nhe2 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
Echinococcus granulosus 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
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family 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
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
Schistosoma mansoni 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
Brugia malayi 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
Schistosoma japonicum ko:K03316 monovalent cation:H+ antiporter, CPA1 family, putative 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) sodium/hydrogen exchanger 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
Giardia lamblia Guanine phosphoribosyltransferase 0.0197 0.3389 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0287 0.5523 0.6348
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0391 0.8 0.5
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 0.5
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0066 0.0301 0.0887
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0066 0.0301 0.0499
Treponema pallidum penicillin-binding protein (pbp-1) 0.0391 0.8 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3389 0.5
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0197 0.3389 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0301 0.0164
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0066 0.0301 0.0887
Echinococcus multilocularis Protein lozenge 0.006 0.0139 0.0409
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0387 0.7898 1
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 0.5
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 0.5
Echinococcus multilocularis sodium:hydrogen exchanger 0.0066 0.0301 0.0887
Loa Loa (eye worm) hypothetical protein 0.0475 1 1
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0287 0.5523 0.6348
Treponema pallidum penicillin-binding protein (pbp-3) 0.0217 0.3872 0.375
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3389 1
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0066 0.0301 0.0887
Loa Loa (eye worm) NHE-3 0.0066 0.0301 0.0164
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0151 0.2297 0.1387
Onchocerca volvulus 0.0197 0.3389 0.3185
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0387 0.7898 1
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3389 0.5
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 0.5
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0066 0.0301 0.0887
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3389 0.5
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3389 0.5
Schistosoma mansoni sodium/hydrogen exchanger 0.0066 0.0301 0.0499
Loa Loa (eye worm) hypothetical protein 0.0066 0.0301 0.0164
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0197 0.3389 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3389 1
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3389 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0197 0.3389 0.3066
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0197 0.3389 0.3185
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0066 0.0301 0.0164
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0066 0.0301 0.0887
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 0.5
Echinococcus granulosus sodium:hydrogen exchanger 0.0066 0.0301 0.0887
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0197 0.3389 0.5
Chlamydia trachomatis transglycolase/transpeptidase 0.0391 0.8 1
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3389 1
Echinococcus granulosus sodium:hydrogen exchanger 0.0066 0.0301 0.0887
Echinococcus multilocularis sodium:hydrogen exchanger 0.0066 0.0301 0.0887
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0217 0.3872 0.3809
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0197 0.3389 1
Onchocerca volvulus 0.0475 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0301 0.0164
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0066 0.0301 0.0164
Leishmania major xanthine phosphoribosyltransferase 0.0197 0.3389 0.5
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0387 0.7898 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0066 0.0301 0.0887
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0287 0.5523 0.6348
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0151 0.2297 0.1387

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.7 uM Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells ChEMBL. 15828827
IC50 (binding) = 1.7 uM Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells ChEMBL. 15828827
RPP (functional) = 17 % 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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