Detailed information for compound 844269

Basic information

Technical information
  • TDR Targets ID: 844269
  • Name: 3-(3-chlorophenyl)-1-[1-(4,5-dimethyl-2-pyrro l-1-ylthiophen-3-yl)ethyl]urea
  • MW: 373.9 | Formula: C19H20ClN3OS
  • H donors: 2 H acceptors: 1 LogP: 4.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1c(sc(c1C)C)n1cccc1)C)Nc1cccc(c1)Cl
  • InChi: 1S/C19H20ClN3OS/c1-12-14(3)25-18(23-9-4-5-10-23)17(12)13(2)21-19(24)22-16-8-6-7-15(20)11-16/h4-11,13H,1-3H3,(H2,21,22,24)
  • InChiKey: JNCUSNIHVTULPP-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3-chlorophenyl)-1-[1-(4,5-dimethyl-2-pyrrol-1-yl-3-thienyl)ethyl]urea
  • 3-(3-chlorophenyl)-1-[1-[4,5-dimethyl-2-(1-pyrrolyl)-3-thienyl]ethyl]urea
  • 3-(3-chlorophenyl)-1-[1-(4,5-dimethyl-2-pyrrol-1-yl-thiophen-3-yl)ethyl]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
Schistosoma mansoni d-amino acid oxidase 0.1138 1 1
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0095 0.0772 0.0772
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0095 0.0772 0.5
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0095 0.0772 0.5
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0095 0.0772 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0302 0.0302
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0095 0.0772 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0031 0.0031
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0031 0.0402
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0031 0.0031
Leishmania major hypothetical protein, conserved 0.0095 0.0772 0.5
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0095 0.0772 1
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0095 0.0772 0.5
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0031 0.0402
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0095 0.0772 0.5
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0095 0.0772 0.5
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0095 0.0772 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0095 0.0772 0.0772
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0271 0.3507
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0031 0.0402
Brugia malayi cDNA sequence BC016226 0.0095 0.0772 1
Leishmania major hypothetical protein, conserved 0.0095 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0095 0.0772 0.0772
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0031 0.0402
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0095 0.0772 0.0772
Loa Loa (eye worm) hypothetical protein 0.0095 0.0772 0.0772
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.1043 0.9161 1
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0095 0.0772 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0031 0.0402
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0095 0.0772 0.5
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0095 0.0772 0.5
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.1138 1 1
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0095 0.0772 0.5
Schistosoma mansoni fad oxidoreductase 0.0095 0.0772 0.0772
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0095 0.0772 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0271 0.3507
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0271 0.3507
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0095 0.0772 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0271 0.0271
Brugia malayi RE18450p 0.0095 0.0772 1
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0095 0.0772 1
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0095 0.0772 0.5
Toxoplasma gondii hypothetical protein 0.0095 0.0772 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0249 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0095 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0226 0.0226
Onchocerca volvulus Putative fad oxidoreductase 0.0095 0.0772 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0249 1
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0095 0.0772 0.0772
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0095 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0031 0.0031
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0095 0.0772 0.5
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0095 0.0772 0.5
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0095 0.0772 0.5
Chlamydia trachomatis D-amino acid dehydrogenase 0.0095 0.0772 0.5
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0095 0.0772 1
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0095 0.0772 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0095 0.0772 0.5
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0095 0.0772 1
Schistosoma mansoni fad oxidoreductase 0.0095 0.0772 0.0772
Mycobacterium ulcerans D-amino acid oxidase Aao 0.1138 1 1
Schistosoma mansoni NAD dehydrogenase 0.0095 0.0772 0.0772
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0095 0.0772 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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