Detailed information for compound 1798859

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.381 | Formula: C21H30Cl2N2O2
  • H donors: 1 H acceptors: 1 LogP: 6.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCCCCCCCC/C(=N\OCc2ccc(cc2Cl)Cl)/CCN1
  • InChi: 1S/C21H30Cl2N2O2/c22-18-12-11-17(20(23)15-18)16-27-25-19-9-7-5-3-1-2-4-6-8-10-21(26)24-14-13-19/h11-12,15H,1-10,13-14,16H2,(H,24,26)/b25-19+
  • InChiKey: GPHRGZVVHJUVID-NCELDCMTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 0.0047 0.003 0.003
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0047 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0047 0.003 0.003
Echinococcus multilocularis phosphoglycerate mutase 0.0047 0.003 0.003
Leishmania major hypothetical protein, conserved 0.0047 0.003 0.003
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.0496 0.0496
Toxoplasma gondii phosphoglycerate mutase family protein 0.0047 0.003 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0053 0.0053
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0047 0.003 0.003
Echinococcus granulosus phosphoglycerate mutase 0.0047 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0047 0.003 0.5
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0047 0.003 0.003
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0047 0.003 0.003
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Entamoeba histolytica phosphoglycerate mutase family protein. putative 0.0047 0.003 0.0051
Mycobacterium leprae conserved hypothetical protein 0.0047 0.003 0.5
Trypanosoma brucei phosphoglycerate mutase, putative 0.0047 0.003 0.003
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0047 0.003 0.003
Onchocerca volvulus 0.2771 1 1
Leishmania major hypothetical protein, conserved 0.0047 0.003 0.003
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1183 0.4186 0.4186
Toxoplasma gondii phosphoglycerate mutase family protein 0.0047 0.003 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0053 0.0053
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.2771 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2725 0.9829 0.9829
Leishmania major fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein 0.0047 0.003 0.003
Leishmania major hypothetical protein, conserved 0.0047 0.003 0.003
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0047 0.003 0.0051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0053 0.0053
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0047 0.003 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.003 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0047 0.003 0.003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0053 0.0088
Echinococcus multilocularis phosphoglycerate mutase 0.0047 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.2725 0.9829 0.9829
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 0.003
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0047 0.003 0.5
Schistosoma mansoni alpha-glucosidase 0.015 0.0407 0.0407
Echinococcus multilocularis phosphoglycerate mutase 0.0047 0.003 0.003
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0047 0.003 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.2725 0.9829 0.9829
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0047 0.003 1
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0047 0.003 0.003
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.1636 0.5844 1
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0047 0.003 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0053 0.0053
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0047 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.1589 0.5673 0.5673
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.1636 0.5844 1
Leishmania major glycerolphosphate mutase, putative 0.0047 0.003 0.003
Echinococcus multilocularis phosphoglycerate mutase 0.0047 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.1679 0.6004 0.6004
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.1679 0.6004 0.6004
Trypanosoma cruzi phosphoglycerate mutase protein, putative 0.0047 0.003 0.003
Brugia malayi UBASH3A protein homolog 0.0047 0.003 0.0049
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 0.003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0053 0.0053
Trypanosoma cruzi phosphoglycerate mutase family member 5, putative 0.0047 0.003 0.003
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0047 0.003 0.5
Leishmania major hypothetical protein, unknown function 0.0047 0.003 0.003
Echinococcus multilocularis phosphoglycerate mutase 0.0047 0.003 0.003
Schistosoma mansoni phosphoglycerate mutase 0.0047 0.003 0.003
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2771 1 1
Loa Loa (eye worm) hypothetical protein 0.2771 1 1
Mycobacterium ulcerans hypothetical protein 0.1636 0.5844 1
Echinococcus granulosus phosphoglycerate mutase 0.0047 0.003 0.003
Brugia malayi Protein kinase domain containing protein 0.1679 0.6004 1
Schistosoma mansoni alpha-glucosidase 0.015 0.0407 0.0407
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2771 1 1
Toxoplasma gondii phosphoglycerate mutase family protein 0.0047 0.003 1
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Trypanosoma cruzi phosphoglycerate mutase, putative 0.0047 0.003 0.003
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0047 0.003 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0047 0.003 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0053 0.0053
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0047 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1679 0.6004 0.6004
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0047 0.003 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative 0.0047 0.003 0.003
Onchocerca volvulus 0.0101 0.0227 0.0198
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0941 0.3304 0.3304
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0047 0.003 0.0051
Loa Loa (eye worm) phosphoglycerate mutase 0.0047 0.003 0.003
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0047 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Mycobacterium leprae Possible phosphoglycerate mutase 0.0047 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.003 0.003
Mycobacterium leprae conserved hypothetical protein 0.0047 0.003 0.5
Trypanosoma brucei glycerolphosphate mutase, putative 0.0047 0.003 0.003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047 0.003 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0174 0.0496 0.0826
Trypanosoma brucei phosphoglycerate mutase protein, putative 0.0047 0.003 0.003
Trypanosoma cruzi glycerolphosphate mutase, putative 0.0047 0.003 0.003
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1183 0.4186 0.4186
Plasmodium falciparum phosphoglycerate mutase, putative 0.0047 0.003 0.5
Trypanosoma brucei Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative 0.0047 0.003 0.003
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0047 0.003 1
Plasmodium vivax phosphoglucomutase-2, putative 0.0047 0.003 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2771 1 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0047 0.003 1
Treponema pallidum phosphoglyceromutase 0.0047 0.003 0.5
Trypanosoma brucei Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Leishmania major phosphoglycerate mutase family member 5, putative 0.0047 0.003 0.003
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1679 0.6004 0.6004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0053 0.0053
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1183 0.4186 0.4186
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0047 0.003 1
Brugia malayi phosphoglycerate mutase family protein 0.0047 0.003 0.0049
Mycobacterium leprae conserved hypothetical protein 0.0047 0.003 0.5
Plasmodium vivax phosphoglycerate mutase, putative 0.0047 0.003 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0047 0.003 1
Schistosoma mansoni phosphoglycerate mutase 0.0047 0.003 0.003
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0047 0.003 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0047 0.003 0.003
Brugia malayi phosphoglycerate mutase family protein 0.0047 0.003 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.003 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2725 0.9829 0.9829
Echinococcus granulosus lysosomal alpha glucosidase 0.0174 0.0496 0.0496
Toxoplasma gondii phosphoglycerate mutase 0.0047 0.003 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0053 0.0053
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0174 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.1679 0.6004 0.6004
Schistosoma mansoni 6-phosphofructokinase 0.2771 1 1
Mycobacterium tuberculosis Conserved protein 0.0047 0.003 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.0496 0.0496
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0047 0.003 0.5
Mycobacterium tuberculosis Conserved protein 0.0047 0.003 0.5
Leishmania major phosphoglycerate mutase protein, putative 0.0047 0.003 0.003
Leishmania major phosphoglycerate mutase, putative 0.0047 0.003 0.003
Trypanosoma cruzi Histidine phosphatase superfamily (branch 1), putative 0.0047 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 0.003
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.2771 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.003 0.003
Echinococcus granulosus phosphoglycerate mutase 0.0047 0.003 0.003
Echinococcus granulosus phosphoglycerate mutase 0.0047 0.003 0.003
Mycobacterium leprae probable isochorismate synthase EntC 0.0047 0.003 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1707 0.6104 0.6104
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0047 0.003 1
Plasmodium falciparum phosphoglucomutase-2 0.0047 0.003 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.2725 0.9829 0.9829
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1183 0.4186 0.4186
Giardia lamblia Hypothetical protein 0.1636 0.5844 0.5
Giardia lamblia Hypothetical protein 0.1636 0.5844 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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