Detailed information for compound 370837

Basic information

Technical information
  • TDR Targets ID: 370837
  • Name: N'-methoxy-5-[4-[4-[(E)-N'-methoxycarbamimido yl]phenyl]phenyl]furan-2-carboximidamide
  • MW: 364.398 | Formula: C20H20N4O3
  • H donors: 2 H acceptors: 0 LogP: 3.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CONC(=N)c1ccc(cc1)c1ccc(cc1)c1ccc(o1)/C(=N/OC)/N
  • InChi: 1S/C20H20N4O3/c1-25-23-19(21)16-9-5-14(6-10-16)13-3-7-15(8-4-13)17-11-12-18(27-17)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
  • InChiKey: RXOKQZOKRXVBIT-UHFFFAOYSA-N  

Network

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Synonyms

  • N'-methoxy-5-[4-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]phenyl]furan-2-carboxamidine
  • 5-[4-[4-[(E)-amino(methoxyimino)methyl]phenyl]phenyl]-N'-methoxy-2-furancarboxamidine
  • N'-methoxy-5-[4-[4-[(E)-N'-methoxyamidino]phenyl]phenyl]furan-2-carboxamidine
  • N'-methoxy-5-[4-[4-(N'-methoxycarbamimidoyl)phenyl]phenyl]furan-2-carboximidamide
  • N'-methoxy-5-[4-[4-(N'-methoxycarbamimidoyl)phenyl]phenyl]furan-2-carboxamidine
  • 5-[4-[4-[(E)-amino-methoxyiminomethyl]phenyl]phenyl]-N'-methoxy-2-furancarboxamidine

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
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0706 0.2459
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0031 0.0706 0.1565
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0085 0.4513 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0691 0.1531
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Brugia malayi Peroxidasin 0.0031 0.0706 0.1565
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0085 0.4513 0.1174
Echinococcus granulosus roundabout 2 0.0061 0.2872 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0691 0.1531
Schistosoma mansoni septate junction protein 0.0031 0.0706 0.1565
Loa Loa (eye worm) hypothetical protein 0.0031 0.0691 0.1531
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0031 0.0706 0.2459
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0031 0.0706 0.2459
Echinococcus granulosus peroxidasin 0.0031 0.0706 0.2459
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Echinococcus multilocularis Immunoglobulin 0.0031 0.0691 0.2406
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0028 0.0525 0.1827
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0048 0.1922 0.4259
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0031 0.0706 0.2459
Echinococcus multilocularis tyrosine protein kinase otk 0.0031 0.0706 0.2459
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0085 0.4513 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0691 0.1531
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Echinococcus granulosus contactin 0.0031 0.0706 0.2459
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0691 0.1531
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0031 0.0706 0.1565
Echinococcus granulosus neuroglian 0.0031 0.0706 0.2459
Echinococcus multilocularis roundabout 2 0.0061 0.2872 1
Echinococcus granulosus defective proboscis extension response 0.0031 0.0691 0.2406
Brugia malayi Immunoglobulin I-set domain containing protein 0.0048 0.1922 0.4259
Echinococcus granulosus tyrosine protein kinase otk 0.0031 0.0706 0.2459
Schistosoma mansoni alcohol dehydrogenase 0.0085 0.4513 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0031 0.0706 0.1565
Schistosoma mansoni cell adhesion molecule 0.0031 0.0706 0.1565
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0031 0.0691 0.1531
Echinococcus multilocularis hemicentin 1 0.0031 0.0706 0.2459
Schistosoma mansoni nephrin 0.0031 0.0706 0.1565
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0031 0.0706 0.1565
Schistosoma mansoni titin 0.0031 0.0706 0.1565
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Loa Loa (eye worm) hypothetical protein 0.0031 0.0691 0.1531
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0085 0.4513 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0691 0.1531
Schistosoma mansoni cell adhesion molecule 0.0041 0.1397 0.3096
Loa Loa (eye worm) hypothetical protein 0.0061 0.2872 0.6365
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0031 0.0706 0.2459
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0028 0.0525 0.1827
Echinococcus multilocularis neuroglian 0.0051 0.2166 0.7541
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Loa Loa (eye worm) hypothetical protein 0.0061 0.2872 0.6365
Echinococcus granulosus lachesin 0.0031 0.0706 0.2459
Echinococcus multilocularis peroxidasin 0.0031 0.0706 0.2459
Echinococcus multilocularis neuroglian 0.0031 0.0706 0.2459
Loa Loa (eye worm) hypothetical protein 0.0041 0.1397 0.3096
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0031 0.0706 0.1565
Echinococcus granulosus roundabout 2 0.0031 0.0706 0.2459
Schistosoma mansoni cell adhesion molecule 0.0031 0.0706 0.1565
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0031 0.0691 0.1531
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0041 0.1397 0.4864
Echinococcus granulosus roundabout 2 0.0031 0.0706 0.2459
Schistosoma mansoni neuroglian 0.0031 0.0706 0.1565
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Schistosoma mansoni nephrin 0.0051 0.2166 0.48
Echinococcus multilocularis roundabout 2 0.0031 0.0706 0.2459
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Onchocerca volvulus Putative alcohol dehydrogenase 0.0085 0.4513 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Schistosoma mansoni septate junction protein 0.0031 0.0706 0.1565
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0031 0.0706 0.2459
Brugia malayi Prion-like- 0.0031 0.0706 0.1565
Echinococcus granulosus hemicentin 1 0.0031 0.0706 0.2459
Brugia malayi Immunoglobulin I-set domain containing protein 0.0028 0.0525 0.1163
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0031 0.0706 0.1565
Schistosoma mansoni tyrosine kinase 0.0038 0.1231 0.2728
Mycobacterium ulcerans epoxide hydrolase EphA 0.0162 1 1
Brugia malayi Alcohol dehydrogenase class III 0.0085 0.4513 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0028 0.0525 0.1163
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0031 0.0691 0.2406
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Echinococcus granulosus Immunoglobulin 0.0031 0.0691 0.2406
Schistosoma mansoni cell adhesion molecule 0.0031 0.0706 0.1565
Brugia malayi Fibronectin type III domain containing protein 0.0031 0.0691 0.1531
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0031 0.0706 0.1565
Onchocerca volvulus Tyrosine kinase homolog 0.0028 0.0525 0.1163
Echinococcus multilocularis roundabout 2 0.0031 0.0706 0.2459
Schistosoma mansoni roundabout 0.0031 0.0706 0.1565
Echinococcus granulosus twitchin 0.0051 0.2166 0.7541
Brugia malayi hypothetical protein 0.0031 0.0691 0.1531
Brugia malayi Immunoglobulin I-set domain containing protein 0.0031 0.0706 0.1565
Echinococcus multilocularis hemicentin 1 0.0031 0.0706 0.2459
Echinococcus granulosus neuroglian 0.0051 0.2166 0.7541
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Loa Loa (eye worm) hypothetical protein 0.0031 0.0706 0.1565
Echinococcus multilocularis lachesin 0.0031 0.0706 0.2459
Loa Loa (eye worm) TK protein kinase 0.0028 0.0525 0.1163
Schistosoma mansoni vesicular amine transporter 0.0031 0.0691 0.1531
Echinococcus multilocularis Immunoglobulin 0.0031 0.0691 0.2406

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antiprotozoal activity in mouse infected with Trypanosoma brucei rhodesiense STIB900 measured as survival upto 60 days at 25 mg/kg, po ChEMBL. 16913722
IC50 (functional) > 205 uM Cytotoxicity against rat L6 cells ChEMBL. 16913722
IC50 (functional) = 1600 uM Antiprotozoal activity against Plasmodium falciparum K1 ChEMBL. 16913722
IC50 (functional) = 1600 uM Antiprotozoal activity against Plasmodium falciparum K1 ChEMBL. 16913722
IC50 (functional) = 24000 uM Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 16913722
IC50 (functional) = 24000 uM Antiprotozoal activity against Trypanosoma brucei rhodesiense STIB900 ChEMBL. 16913722
Survival (functional) = 6.25 day Antiprotozoal activity in mouse infected with Trypanosoma brucei rhodesiense STIB900 measured as average days of survival at 25 mg/kg, po ChEMBL. 16913722
Survival (functional) = 6.25 day Antiprotozoal activity in mouse infected with Trypanosoma brucei rhodesiense STIB900 measured as average days of survival at 25 mg/kg, po ChEMBL. 16913722

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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