Detailed information for compound 1482055

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.471 | Formula: C21H26N6O
  • H donors: 1 H acceptors: 4 LogP: 2.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CC(C)(C)Cc2c1cnn2c1ccc(cc1)C)CCn1ncnc1
  • InChi: 1S/C21H26N6O/c1-15-4-6-16(7-5-15)27-19-11-21(2,3)10-18(17(19)12-23-27)25-20(28)8-9-26-14-22-13-24-26/h4-7,12-14,18H,8-11H2,1-3H3,(H,25,28)
  • InChiKey: IYSZDQUYRABFPT-UHFFFAOYSA-N  

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
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0375 0.2418 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0155 0.0639 0.254
Trichomonas vaginalis alpha-glucosidase, putative 0.0197 0.0979 0.3968
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0489 0.1913
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0136 0.0489 0.1913
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.1278 0.0683
Echinococcus multilocularis lysosomal alpha glucosidase 0.1317 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0197 0.0979 1
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0155 0.0639 0.0157
Schistosoma mansoni alpha-glucosidase 0.1256 0.951 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0197 0.0979 0.3968
Brugia malayi hypothetical protein 0.0234 0.1278 0.0829
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.0533 0.0333
Trypanosoma cruzi hypothetical protein, conserved 0.0197 0.0979 0.3739
Onchocerca volvulus 0.0952 0.7057 1
Echinococcus granulosus lysosomal alpha glucosidase 0.1317 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.0489 0.0489
Schistosoma mansoni alpha glucosidase 0.0197 0.0979 0.0744
Trichomonas vaginalis maltase-glucoamylase, putative 0.0197 0.0979 0.3968
Trichomonas vaginalis alpha-glucosidase, putative 0.0197 0.0979 0.3968
Schistosoma mansoni alpha-glucosidase 0.1256 0.951 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.18 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.0661 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.1278 0.0683
Mycobacterium ulcerans alpha-L-fucosidase 0.0856 0.6287 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.0533 0.0333
Trichomonas vaginalis alpha-glucosidase, putative 0.0197 0.0979 0.3968
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0197 0.0979 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0197 0.0979 1
Trypanosoma brucei glucosidase, putative 0.0197 0.0979 0.3739
Trichomonas vaginalis alpha-glucosidase, putative 0.0197 0.0979 0.3968
Loa Loa (eye worm) hypothetical protein 0.0155 0.0639 0.0639
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0489 0.1913
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0375 0.2418 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0489 0.1913
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.0533 0.0333
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0489 0.1913
Loa Loa (eye worm) alpha-L-fucosidase 0.0856 0.6287 0.6287
Trypanosoma cruzi hypothetical protein, conserved 0.0197 0.0979 0.3739
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0197 0.0979 0.3968
Trichomonas vaginalis maltase-glucoamylase, putative 0.0136 0.0489 0.1913
Loa Loa (eye worm) hypothetical protein 0.0234 0.1278 0.1278
Schistosoma mansoni alpha-l-fucosidase 0.0856 0.6287 0.6503
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0856 0.6287 0.6034
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0979 0.0515
Leishmania major alpha glucosidase II subunit, putative 0.0197 0.0979 0.3739
Echinococcus granulosus neutral alpha glucosidase AB 0.0197 0.0979 0.0364
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1317 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0136 0.0489 0.1913
Echinococcus multilocularis neutral alpha glucosidase AB 0.0197 0.0979 0.0364
Entamoeba histolytica glycogen debranching enzyme, putative 0.0155 0.0639 0.3055
Trichomonas vaginalis sucrase-isomaltase, putative 0.0197 0.0979 0.3968
Echinococcus multilocularis lysosomal alpha glucosidase 0.1317 1 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0155 0.0639 0.254
Leishmania major mitochondrial DNA polymerase beta 0.0299 0.18 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0856 0.6287 0.6034
Brugia malayi Alpha-L-fucosidase family protein 0.0856 0.6287 0.6096
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0979 0.0979
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0155 0.0639 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 0.18 1
Schistosoma mansoni hypothetical protein 0.0199 0.0994 0.0761
Trichomonas vaginalis alpha-glucosidase, putative 0.0136 0.0489 0.1913
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0197 0.0979 0.3968
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 0.18 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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