Detailed information for compound 1535367

Basic information

Technical information
  • TDR Targets ID: 1535367
  • Name: STOCK5S-45106
  • MW: 428.442 | Formula: C20H24N6O5
  • H donors: 0 H acceptors: 5 LogP: -0.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Cn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2c1c(=O)n(c(=O)n2C)C
  • InChi: 1S/C20H24N6O5/c1-13(27)11-26-15(21-17-16(26)19(29)23(3)20(30)22(17)2)12-24-6-8-25(9-7-24)18(28)14-5-4-10-31-14/h4-5,10H,6-9,11-12H2,1-3H3
  • InChiKey: CXNOVBGOSHDXAB-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545

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 hypothetical protein 0.0043 0.0217 0.0245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0454 0.1057
Echinococcus multilocularis protein dispatched 1 0.0051 0.0438 0.0363
Echinococcus multilocularis expressed conserved protein 0.0097 0.174 0.1675
Toxoplasma gondii hypothetical protein 0.0039 0.0108 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0444 0.2309
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.1915 0.4359
Loa Loa (eye worm) hypothetical protein 0.0188 0.4294 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0188 0.4294 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0454 0.1057
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0188 0.4294 0.5
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.0108 0.0071
Loa Loa (eye worm) hypothetical protein 0.0097 0.1732 0.4033
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0188 0.4294 0.4835
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0444 0.0451
Plasmodium vivax protease, putative 0.0039 0.0108 0.5
Schistosoma mansoni chromobox protein 0.0084 0.1381 0.1555
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0108 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0078 0.0087
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 0.3158 0.3105
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0108 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1381 0.3217
Echinococcus multilocularis geminin 0.0351 0.8881 0.8873
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0078 0.0087
Onchocerca volvulus 0.009 0.1555 0.8944
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.1915 0.1852
Brugia malayi Trypsin family protein 0.0097 0.1732 0.4033
Toxoplasma gondii CAAX amino terminal protease family protein 0.0039 0.0108 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0217 0.0245
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0343 0.0202
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1381 0.2776
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0262 0.061
Toxoplasma gondii hypothetical protein 0.0039 0.0108 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0057 0.0133
Schistosoma mansoni hypothetical protein 0.0351 0.8881 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1381 0.2776
Echinococcus granulosus chromobox protein 1 0.0084 0.1381 0.1314
Loa Loa (eye worm) hypothetical protein 0.0097 0.1732 0.4033
Echinococcus granulosus CAAX prenyl protease 2 0.0188 0.4294 0.4249
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0454 0.1057
Giardia lamblia Hypothetical protein 0.0188 0.4294 0.5
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0188 0.4294 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0108 0.5
Brugia malayi CHE-14 protein 0.0044 0.0262 0.061
Echinococcus granulosus geminin 0.0351 0.8881 0.8873
Loa Loa (eye worm) hypothetical protein 0.0047 0.0343 0.0799
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0188 0.4294 0.4835
Schistosoma mansoni hypothetical protein 0.0351 0.8881 1
Onchocerca volvulus 0.0097 0.1732 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0262 0.061
Brugia malayi hypothetical protein 0.0038 0.0078 0.0181
Entamoeba histolytica CAAX prenyl protease family 0.0188 0.4294 1
Plasmodium falciparum protease, putative 0.0039 0.0108 0.5
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0188 0.4294 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.1915 0.4461
Schistosoma mansoni hypothetical protein 0.0043 0.0217 0.0245
Entamoeba histolytica CAAX amino terminal protease family 0.0039 0.0108 0.0071
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0097 0.1732 0.195
Mycobacterium tuberculosis Probable integral membrane protein 0.0039 0.0108 0.5
Brugia malayi chromobox protein homolog 3 0.0047 0.0343 0.0799
Brugia malayi Heterochromatin protein 1 0.0084 0.1381 0.3217
Treponema pallidum hypothetical protein 0.0039 0.0108 0.5
Mycobacterium ulcerans hypothetical protein 0.0039 0.0108 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0097 0.1732 0.195
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.1915 0.1852
Chlamydia trachomatis hypothetical protein 0.0039 0.0108 0.5
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.196 0.2207
Schistosoma mansoni chromobox protein 0.0084 0.1381 0.1555
Echinococcus granulosus expressed conserved protein 0.0097 0.174 0.1675
Echinococcus multilocularis chromobox protein 1 0.0084 0.1381 0.1314
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0262 0.0186
Mycobacterium ulcerans hypothetical protein 0.0039 0.0108 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0454 0.1057
Echinococcus multilocularis expressed protein 0.0391 1 1
Echinococcus granulosus chromobox protein 1 0.0084 0.1381 0.1314
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0343 0.1709
Loa Loa (eye worm) hypothetical protein 0.0054 0.0542 0.1262
Echinococcus granulosus Niemann Pick C1 protein 0.0147 0.3158 0.3105
Loa Loa (eye worm) hypothetical protein 0.0103 0.1915 0.4461
Schistosoma mansoni hypothetical protein 0.0043 0.0217 0.0245
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0444 0.0451
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0188 0.4294 1
Schistosoma mansoni patched 1 0.0044 0.0262 0.0295
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0343 0.0202
Echinococcus multilocularis chromobox protein 1 0.0084 0.1381 0.1314
Echinococcus multilocularis protein patched 0.0044 0.0262 0.0186
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0262 0.0186
Brugia malayi CAAX amino terminal protease family protein 0.0188 0.4294 1
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0262 0.0186
Echinococcus multilocularis CAAX prenyl protease 2 0.0188 0.4294 0.4249
Mycobacterium ulcerans integral membrane protein 0.0039 0.0108 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3162 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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