Detailed information for compound 223155

Basic information

Technical information
  • TDR Targets ID: 223155
  • Name: [(E)-[4-(3-methylphenoxy)phenyl]methylideneam ino]urea
  • MW: 269.299 | Formula: C15H15N3O2
  • H donors: 2 H acceptors: 1 LogP: 2.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)N/N=C/c1ccc(cc1)Oc1cccc(c1)C
  • InChi: 1S/C15H15N3O2/c1-11-3-2-4-14(9-11)20-13-7-5-12(6-8-13)10-17-18-15(16)19/h2-10H,1H3,(H3,16,18,19)/b17-10+
  • InChiKey: SKSVDBVQOMQIQU-LICLKQGHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(E)-[4-(3-methylphenoxy)phenyl]methyleneamino]urea
  • 1-[(E)-[4-(3-methylphenoxy)phenyl]methylideneamino]urea
  • [(E)-[4-(3-methylphenoxy)benzylidene]amino]urea
  • [[4-(3-methylphenoxy)phenyl]methylideneamino]urea
  • [[4-(3-methylphenoxy)phenyl]methyleneamino]urea
  • [[4-(3-methylphenoxy)benzylidene]amino]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 mercuric reductase, putative 0.0067 0.1234 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0067 0.1234 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.1234 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0193 1 1
Plasmodium vivax glutathione reductase, putative 0.0193 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0067 0.1234 0.5
Toxoplasma gondii thioredoxin reductase 0.0193 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0067 0.1234 0.5
Loa Loa (eye worm) glutathione reductase 0.0193 1 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0067 0.1234 0.1234
Trypanosoma cruzi trypanothione reductase, putative 0.0193 1 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0067 0.1234 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0193 1 1
Leishmania major trypanothione reductase 0.0193 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0193 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0193 1 0.5
Treponema pallidum NADH oxidase 0.0067 0.1234 0.5
Plasmodium falciparum glutathione reductase 0.0193 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0067 0.1234 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0067 0.1234 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0193 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0067 0.1234 0.5
Brugia malayi Thioredoxin reductase 0.0193 1 1
Trypanosoma brucei trypanothione reductase 0.0193 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0067 0.1234 0.5
Plasmodium falciparum thioredoxin reductase 0.0193 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NT 0 Compound was tested for anticonvulsant activity after Oral Administration into Rats by using MES screen test after 0.25h,dose 12.5 mg/kg; No activity was demonstrated ChEMBL. 8831764
Activity (functional) = 2 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
Activity (functional) = 3 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 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
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 by using MES screen test after 0.5 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice measured in a maximal electroshock scree (MES) screen ChEMBL. 8831764
Dose (ADMET) = 100 mg kg-1 Toxicity after intraperitoneal injection into mice by using toxicity screen test after 0.5 hr ChEMBL. 8831764
Dose (functional) = 100 mg kg-1 Anticonvulsant activity after intraperitoneal injection into mice measured in a maximal electroshock scree (MES) screen ChEMBL. 8831764
Dose (ADMET) = 100 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 Compound was tested for toxicity after intraperitoneal injection into mice by using toxicity screen test after 4 hr ChEMBL. 8831764
Dose (ADMET) = 300 mg kg-1 Compound was tested for toxicity after intraperitoneal injection into mice by using toxicity screen test after 4 hr ChEMBL. 8831764
ED50 (functional) = 3.07 mg kg-1 Compound was tested for anticonvulsant activity after Oral Administration into rat by using MES screen test after 1 hr ChEMBL. 8831764
PI (ADMET) > 163 Protection index = TD50/ED50 (MES) ChEMBL. 8831764
TD50 (ADMET) > 500 mg kg-1 Compound was tested for toxicity after oral administration in rat by using neurotoxicity screen test after 0.25-24 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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