Detailed information for compound 224376

Basic information

Technical information
  • TDR Targets ID: 224376
  • Name: [(E)-[4-(4-fluoro-3-methylphenoxy)phenyl]meth ylideneamino]urea
  • MW: 287.289 | Formula: C15H14FN3O2
  • H donors: 2 H acceptors: 1 LogP: 2.59 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)N/N=C/c1ccc(cc1)Oc1ccc(c(c1)C)F
  • InChi: 1S/C15H14FN3O2/c1-10-8-13(6-7-14(10)16)21-12-4-2-11(3-5-12)9-18-19-15(17)20/h2-9H,1H3,(H3,17,19,20)/b18-9+
  • InChiKey: WGYINLWVVIPUJR-GIJQJNRQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(E)-[4-(4-fluoro-3-methyl-phenoxy)phenyl]methyleneamino]urea
  • [(E)-[4-(4-fluoro-3-methylphenoxy)phenyl]methyleneamino]urea
  • 1-[(E)-[4-(4-fluoro-3-methyl-phenoxy)phenyl]methylideneamino]urea
  • [(E)-[4-(4-fluoro-3-methyl-phenoxy)benzylidene]amino]urea
  • [[4-(4-fluoro-3-methylphenoxy)phenyl]methylideneamino]urea
  • [[4-(4-fluoro-3-methyl-phenoxy)phenyl]methyleneamino]urea
  • [[4-(4-fluoro-3-methylphenoxy)phenyl]methyleneamino]urea
  • [[4-(4-fluoro-3-methyl-phenoxy)benzylidene]amino]urea
  • [[4-(4-fluoro-3-methyl-phenoxy)phenyl]methylideneamino]urea

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
Trichomonas vaginalis conserved hypothetical protein 0.1503 0.4143 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0231 0.0195
Loa Loa (eye worm) hypothetical protein 0.2934 0.8193 0.8186
Schistosoma mansoni carbonic anhydrase-related 0.176 0.4869 0.4845
Schistosoma mansoni hypothetical protein 0.176 0.4869 0.4845
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0048 0.0183
Toxoplasma gondii hypothetical protein 0.176 0.4869 0.5
Entamoeba histolytica ankyrin, putative 0.007 0.0084 0.0213
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0048 0.0115
Onchocerca volvulus Huntingtin homolog 0.0122 0.0231 0.3242
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0048 0.0048
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0899 0.2431 0.928
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.176 0.4869 0.4845
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.176 0.4869 0.4845
Loa Loa (eye worm) hypothetical protein 0.176 0.4869 0.485
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0965 0.262 1
Loa Loa (eye worm) hypothetical protein 0.176 0.4869 0.485
Mycobacterium ulcerans carbonic anhydrase 0.1437 0.3955 0.9545
Brugia malayi Pre-SET motif family protein 0.0207 0.0471 0.0426
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.007 0.0084 0.0322
Leishmania major carbonic anhydrase family protein, putative 0.1437 0.3955 0.3955
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3572 1 1
Brugia malayi hypothetical protein 0.0122 0.0231 0.0184
Echinococcus granulosus microtubule associated protein 2 0.0685 0.1825 0.1786
Schistosoma mansoni carbonic anhydrase-related 0.176 0.4869 0.4845
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.1825 0.1786
Echinococcus multilocularis carbonic anhydrase 0.176 0.4869 0.4845
Echinococcus granulosus dynactin 5 p25 0.007 0.0084 0.0037
Echinococcus multilocularis carbonic anhydrase II 0.3572 1 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.012 0.0073
Loa Loa (eye worm) hypothetical protein 0.0122 0.0231 0.0195
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1437 0.3955 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.012 0.0073
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.012 0.0073
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.012 0.0073
Schistosoma mansoni carbonic anhydrase-related 0.176 0.4869 0.4845
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3572 1 1
Entamoeba histolytica acetyltransferase, putative 0.007 0.0084 0.0213
Onchocerca volvulus 0.0203 0.046 0.8072
Trichomonas vaginalis set domain proteins, putative 0.0235 0.0552 0.1169
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.176 0.4869 0.4845
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.0471 0.0436
Echinococcus multilocularis carbonic anhydrase 0.176 0.4869 0.4845
Leishmania major carbonic anhydrase-like protein 0.3572 1 1
Echinococcus granulosus carbonic anhydrase 0.176 0.4869 0.4845
Mycobacterium leprae Probable transmembrane transport protein 0.0234 0.0549 0.1219
Echinococcus granulosus carbonic anhydrase 0.176 0.4869 0.4845
Trypanosoma brucei carbonic anhydrase-like protein 0.3572 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.176 0.4869 0.4845
Onchocerca volvulus 0.0235 0.0552 1
Entamoeba histolytica carbonic anhydrase, putative 0.1437 0.3955 1
Mycobacterium ulcerans transferase 0.0067 0.0077 0.0185
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.176 0.4869 0.485
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0048 0.0115
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0772 0.2073 0.7912
Loa Loa (eye worm) carbonic anhydrase 3 0.3572 1 1
Echinococcus multilocularis carbonic anhydrase 0.176 0.4869 0.4845
Mycobacterium ulcerans carbonic anhydrase 0.1503 0.4143 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.176 0.4869 0.4845
Onchocerca volvulus Huntingtin homolog 0.0122 0.0231 0.3242
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.007 0.0084 1
Schistosoma mansoni carbonic anhydrase 0.1437 0.3955 0.3925
Loa Loa (eye worm) hypothetical protein 0.0083 0.012 0.0084
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.1825 0.1786
Trichomonas vaginalis conserved hypothetical protein 0.1503 0.4143 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.3572 1 1
Plasmodium falciparum carbonic anhydrase 0.176 0.4869 0.5
Echinococcus granulosus carbonic anhydrase 0.176 0.4869 0.4845
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0234 0.0549 0.2097
Echinococcus granulosus carbonic anhydrase II 0.3572 1 1
Schistosoma mansoni carbonic anhydrase 0.176 0.4869 0.4845
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.007 0.0084 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.3572 1 1
Onchocerca volvulus 0.0083 0.012 0.0916
Onchocerca volvulus Putative sulfate transporter 0.0203 0.046 0.8072
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.3572 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.3572 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 2 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 0.25h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Activity (functional) = 4 Anticonvulsant activity after oral administration into rats ChEMBL. 8831764
Activity (functional) = 4 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 1h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Activity (functional) = 4 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 2h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Activity (functional) = 4 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 4h,dose 12.5 mg/kg; number of rats out of four which were protected ChEMBL. 8831764
Dose (functional) = 30 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using MES screen test after 0.5 hr ChEMBL. 8831764
Dose (functional) = 30 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice measured in a maximal electroshock scree (MES) screen ChEMBL. 8831764
Dose (functional) = 30 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice by using MES screen test after 0.5 hr ChEMBL. 8831764
Dose (functional) = 30 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice measured in a maximal electroshock scree (MES) screen ChEMBL. 8831764
Dose (ADMET) = 300 mg kg-1 Toxicity after intraperitoneal injection into mice by using toxicity screen test after 0.5 hr ChEMBL. 8831764
Dose (ADMET) = 300 mg kg-1 Toxicity after intraperitoneal injection into mice by using toxicity screen test after 0.5 hr ChEMBL. 8831764

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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