Detailed information for compound 940906

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 419.945 | Formula: C22H30ClN3O3
  • H donors: 0 H acceptors: 1 LogP: 3.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2C(OCCCc2cc1OC)CN1CCN(CC1)c1ccccn1.Cl
  • InChi: 1S/C22H29N3O3.ClH/c1-26-19-14-17-6-5-13-28-21(18(17)15-20(19)27-2)16-24-9-11-25(12-10-24)22-7-3-4-8-23-22;/h3-4,7-8,14-15,21H,5-6,9-13,16H2,1-2H3;1H
  • InChiKey: DEGANZHEGANKMA-UHFFFAOYSA-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
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.3177 0.3256
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1817 1
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0735 0.0735
Loa Loa (eye worm) RNA binding protein 0.0065 0.3504 0.3504
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0556 0.057
Schistosoma mansoni cpg binding protein 0.0032 0.144 0.1476
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0518 0.0518
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1817 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.1817 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.2169 0.2169
Loa Loa (eye worm) hypothetical protein 0.0014 0.0353 0.0353
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0518 0.0518
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1817 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.1817 0.1817
Echinococcus granulosus tar DNA binding protein 0.0065 0.3504 0.3504
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1817 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1225 0.1225
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.1817 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.095 0.0973
Trypanosoma cruzi ISWI complex protein 0.0015 0.0411 0.04
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0023 0.0023
Schistosoma mansoni hypothetical protein 0.002 0.0735 0.0753
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0556 0.057
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1817 1
Schistosoma mansoni cpg binding protein 0.0028 0.1225 0.1255
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3504 0.3504
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0131 0.0131
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.2926 1
Trypanosoma cruzi ISWI complex protein 0.0015 0.0411 0.04
Schistosoma mansoni alpha-glucosidase 0.0146 0.8536 0.8747
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.1817 1
Echinococcus granulosus lysosomal alpha glucosidase 0.017 1 1
Schistosoma mansoni bromodomain containing protein 0.0064 0.342 0.3505
Trypanosoma brucei ISWI complex protein 0.0015 0.0411 0.04
Echinococcus granulosus geminin 0.0166 0.9758 0.9758
Loa Loa (eye worm) hypothetical protein 0.0038 0.181 0.181
Schistosoma mansoni cpg binding protein 0.0032 0.144 0.1476
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.095 0.095
Echinococcus multilocularis cpg binding protein 0.0032 0.144 0.144
Echinococcus multilocularis geminin 0.0166 0.9758 0.9758
Loa Loa (eye worm) hypothetical protein 0.004 0.1954 0.1954
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3504 0.3591
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.3203 0.3203
Trypanosoma brucei glucosidase, putative 0.0038 0.1817 1
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.7061 0.7061
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3504 0.3591
Brugia malayi RNA binding protein 0.0065 0.3504 0.3504
Loa Loa (eye worm) hypothetical protein 0.0017 0.0556 0.0556
Echinococcus granulosus cpg binding protein 0.0032 0.144 0.144
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0518 0.0531
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0556 0.0556
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1662 0.1662
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.1817 0.1817
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.1817 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3504 0.3504
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.1817 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3504 0.3591
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0555 0.0555
Loa Loa (eye worm) hypothetical protein 0.0069 0.3772 0.3772
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.7061 0.7061
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0353 0.0353
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.095 0.095
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1817 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.1817 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1662 0.1662
Brugia malayi PHD-finger family protein 0.0026 0.1094 0.1094
Schistosoma mansoni zinc finger protein 0.0021 0.077 0.0789
Schistosoma mansoni alpha-glucosidase 0.0146 0.8536 0.8747
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 1 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.1225 0.1225
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3504 0.3591
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.1817 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3504 0.3504
Brugia malayi TAR-binding protein 0.0065 0.3504 0.3504
Brugia malayi MH2 domain containing protein 0.0122 0.7061 0.7061
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3504 0.3504
Echinococcus granulosus zinc finger protein 0.0021 0.077 0.077
Schistosoma mansoni hypothetical protein 0.0166 0.9758 1
Onchocerca volvulus 0.0098 0.5566 1
Brugia malayi Bromodomain containing protein 0.0037 0.1806 0.1806
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.1817 0.1817
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.1817 0.1817
Schistosoma mansoni zinc finger protein 0.0015 0.0411 0.0422
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0518 0.0531
Schistosoma mansoni hypothetical protein 0.0166 0.9758 1
Echinococcus multilocularis zinc finger protein 0.0021 0.077 0.077
Schistosoma mansoni alpha glucosidase 0.0038 0.1817 0.1862
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.1817 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Onchocerca volvulus 0.0028 0.1225 0.1673
Schistosoma mansoni hypothetical protein 0.0015 0.0411 0.0422
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0023 0.0023
Brugia malayi Bromodomain containing protein 0.0075 0.4131 0.4131
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3504 0.3591
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.3203 0.3203
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0556 0.0556
Leishmania major hypothetical protein, conserved 0.0015 0.0411 0.04

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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