Detailed information for compound 1789678

Basic information

Technical information
  • TDR Targets ID: 1789678
  • Name: Oprea1_062736
  • MW: 275.733 | Formula: C14H14ClN3O
  • H donors: 2 H acceptors: 2 LogP: 2.48 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)Cl)NCCc1ccccn1
  • InChi: 1S/C14H14ClN3O/c15-11-4-6-13(7-5-11)18-14(19)17-10-8-12-3-1-2-9-16-12/h1-7,9H,8,10H2,(H2,17,18,19)
  • InChiKey: IPJBDZBGMSYJGD-UHFFFAOYSA-N  

Network

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Synonyms

  • T5634726
  • AI-204/31696019
  • N-(4-chlorophenyl)-N'-[2-(2-pyridinyl)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
Echinococcus granulosus phosphoglycerate mutase 0.0051 0.0081 0.0025
Echinococcus multilocularis phosphoglycerate mutase 0.0051 0.0081 0.0025
Schistosoma mansoni 6-phosphofructokinase 0.3024 1 1
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0051 0.0081 0.0025
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0051 0.0081 0.5
Giardia lamblia Hypothetical protein 0.1784 0.5865 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0051 0.0081 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0081 0.0025
Loa Loa (eye worm) phosphoglycerate mutase 0.0051 0.0081 0.0081
Echinococcus granulosus phosphoglycerate mutase 0.0051 0.0081 0.0025
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0051 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.3024 1 1
Plasmodium vivax phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.1733 0.5695 0.5695
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0051 0.0081 0.0025
Loa Loa (eye worm) hypothetical protein 0.0051 0.0081 0.0081
Toxoplasma gondii phosphoglycerate mutase family protein 0.0051 0.0081 0.5
Mycobacterium leprae probable isochorismate synthase EntC 0.0051 0.0081 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.129 0.4216 0.4169
Plasmodium vivax phosphoglucomutase-2, putative 0.0051 0.0081 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0051 0.0081 0.0025
Schistosoma mansoni phosphoglycerate mutase 0.0051 0.0081 0.0025
Schistosoma mansoni hypothetical protein 0.0051 0.0081 0.0025
Giardia lamblia Hypothetical protein 0.1784 0.5865 0.5
Schistosoma mansoni phosphoglycerate mutase 0.0051 0.0081 0.0025
Mycobacterium tuberculosis Probable oxidoreductase 0.0918 0.2975 1
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0051 0.0081 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0051 0.0081 0.0044
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2973 0.983 0.9828
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2973 0.983 0.9828
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0081 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.129 0.4216 0.4169
Schistosoma mansoni hypothetical protein 0.0051 0.0081 0.0025
Mycobacterium leprae conserved hypothetical protein 0.0051 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.2973 0.983 0.983
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0051 0.0081 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0051 0.0081 0.0025
Echinococcus multilocularis phosphoglycerate mutase 0.0051 0.0081 0.0025
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0051 0.0081 0.0044
Echinococcus multilocularis phosphoglycerate mutase 0.0051 0.0081 0.0025
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.129 0.4216 0.4169
Brugia malayi phosphoglycerate mutase family protein 0.0051 0.0081 1
Plasmodium falciparum phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Echinococcus granulosus phosphoglycerate mutase 0.0051 0.0081 0.0025
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2973 0.983 0.9828
Schistosoma mansoni hypothetical protein 0.0051 0.0081 0.0025
Brugia malayi hypothetical protein 0.0043 0.0056 0.6888
Echinococcus granulosus phosphoglycerate mutase 0.0051 0.0081 0.0025
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.129 0.4216 0.4169
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.2973 0.983 0.9828
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0081 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0051 0.0081 0.5
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0051 0.0081 0.0025
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3024 1 1
Toxoplasma gondii phosphoglycerate mutase 0.0051 0.0081 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3024 1 1
Mycobacterium ulcerans hypothetical protein 0.1784 0.5865 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0051 0.0081 0.0025
Mycobacterium leprae conserved hypothetical protein 0.0051 0.0081 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0051 0.0081 0.0044
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1784 0.5865 1
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0051 0.0081 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0051 0.0081 0.5
Brugia malayi UBASH3A protein homolog 0.0051 0.0081 1
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.3024 1 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0051 0.0081 0.5
Plasmodium falciparum phosphoglucomutase-2 0.0051 0.0081 0.5
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0051 0.0081 0.0025
Loa Loa (eye worm) hypothetical protein 0.0051 0.0081 0.0081
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0051 0.0081 0.5
Mycobacterium leprae Possible phosphoglycerate mutase 0.0051 0.0081 0.5
Echinococcus granulosus phosphoglycerate mutase 0.0051 0.0081 0.0025
Onchocerca volvulus 0.3024 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3024 1 1
Mycobacterium leprae conserved hypothetical protein 0.0051 0.0081 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0081 0.0025
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3024 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0918 0.2975 0.5003
Treponema pallidum phosphoglyceromutase 0.0051 0.0081 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0051 0.0081 0.0025
Brugia malayi phosphoglycerate mutase family protein 0.0051 0.0081 1
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1784 0.5865 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 66.91 uM Cytotoxicity against Homo sapiens (human) MOLT3 cells assessed as inhibition of cell growth after 3 days by crystal violet staining ChEMBL. No reference

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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