Detailed information for compound 1597813

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 638.369 | Formula: C29H28Cl4N4O4
  • H donors: 1 H acceptors: 3 LogP: 6.05 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1cc(Cl)c(c(c1)Cl)OCCOc1ccc(cn1)N1C(=O)CNC[C@@H]1C(=O)N(C1CC1)Cc1cccc(c1Cl)Cl
  • InChi: 1S/C29H28Cl4N4O4/c1-17-11-22(31)28(23(32)12-17)41-10-9-40-25-8-7-20(13-35-25)37-24(14-34-15-26(37)38)29(39)36(19-5-6-19)16-18-3-2-4-21(30)27(18)33/h2-4,7-8,11-13,19,24,34H,5-6,9-10,14-16H2,1H3/t24-/m1/s1
  • InChiKey: HBCHCBITWGZHJH-XMMPIXPASA-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 neutral amino acid transporter A 0.0879 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0125 0.0125
Loa Loa (eye worm) excitatory amino acid transporter 0.0879 1 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.0879 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0879 1 1
Mycobacterium leprae Probable lipase LipE 0.0039 0 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0127 0.1048 0.1048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0125 0.0125
Plasmodium vivax hypothetical protein, conserved 0.0039 0 0.5
Brugia malayi Muscleblind-like protein 0.0161 0.1459 0.1459
Echinococcus granulosus Excitatory amino acid transporter 0.0879 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.039 0.4174 0.4174
Toxoplasma gondii aldehyde dehydrogenase 0.0127 0.1048 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0176 0.1633 0.1633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0125 0.0125
Echinococcus multilocularis Excitatory amino acid transporter 0.0879 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0125 0.0125
Echinococcus multilocularis neutral amino acid transporter A 0.0879 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0125 0.0125
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0002 1
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.1048 0.1048
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0002 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0002 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0002 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 0.1633 0.1633
Onchocerca volvulus 0.0102 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0161 0.1459 0.1459
Echinococcus granulosus neutral amino acid transporter 0.0879 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0002 0.0002
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0002 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0002 1
Treponema pallidum glutamate transporter 0.039 0.4174 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0002 0.0018
Echinococcus granulosus sodium:dicarboxylate symporter 0.0879 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.1048 1
Echinococcus multilocularis neutral amino acid transporter A 0.0879 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0879 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0879 1 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0879 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.1048 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.2517 0.2517
Echinococcus granulosus muscleblind protein 0.0161 0.1459 0.1459
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 0.1633 0.1633
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0176 0.1633 0.1633
Loa Loa (eye worm) hypothetical protein 0.0161 0.1459 0.1459
Echinococcus multilocularis neutral amino acid transporter A 0.0879 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0125 0.0125
Echinococcus multilocularis muscleblind protein 1 0.0161 0.1459 0.1459
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0002 1
Brugia malayi follicle stimulating hormone receptor 0.025 0.2517 0.2517
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0879 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0002 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0127 0.1048 0.1048
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0002 1
Treponema pallidum glutamate/aspartate transporter 0.039 0.4174 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.0879 1 1
Brugia malayi MH2 domain containing protein 0.0129 0.1073 0.1073
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0002 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0002 0.0002
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0879 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0127 0.1048 0.1048
Mycobacterium ulcerans aldehyde dehydrogenase 0.0127 0.1048 1
Chlamydia trachomatis glutamate symporter 0.0879 1 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0879 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.039 0.4174 0.4174
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0002 0.0018
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.039 0.4174 0.4174
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0879 1 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0002 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0002 0.0002
Schistosoma mansoni alpha-glucosidase 0.0152 0.1341 0.1341
Echinococcus multilocularis sodium:dicarboxylate symporter 0.039 0.4174 0.4174
Trypanosoma brucei glucosidase, putative 0.0039 0.0002 1
Schistosoma mansoni alpha glucosidase 0.0039 0.0002 0.0002
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0002 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0879 1 1
Echinococcus granulosus neutral amino acid transporter A 0.0879 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1073 0.1073
Echinococcus multilocularis muscleblind protein 0.0161 0.1459 0.1459
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0002 0.0002
Echinococcus multilocularis Excitatory amino acid transporter 0.0879 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0249 0.2497 0.2497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0125 0.0125
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0127 0.1048 0.1048
Mycobacterium leprae conserved hypothetical protein 0.0039 0 0.5
Echinococcus granulosus Excitatory amino acid transporter 0.0879 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0002 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0125 0.0125
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0879 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0176 0.1633 0.1633
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0127 0.1048 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0125 0.0125
Schistosoma mansoni alpha-glucosidase 0.0152 0.1341 0.1341
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1073 0.1073

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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