Detailed information for compound 1888731

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 341.224 | Formula: C13H13BrN2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(Cn1ccs/c/1=N\C(=O)C)O
  • InChi: 1S/C13H13BrN2O2S/c1-9(17)15-13-16(6-7-19-13)8-12(18)10-2-4-11(14)5-3-10/h2-7,12,18H,8H2,1H3/b15-13-
  • InChiKey: UBZNXVFNNOPCSO-SQFISAMPSA-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
Theileria parva 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus 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
Onchocerca volvulus Heterochromatin protein 1 homolog 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
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
Schistosoma mansoni chromobox protein 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 multilocularis chromobox 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
Loa Loa (eye worm) heterochromatin protein 1 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
Echinococcus granulosus chromobox protein 1 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

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
Toxoplasma gondii beta-1 tubulin, putative 0.0076 0.8418 0.5
Plasmodium vivax tubulin beta chain, putative 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.3419 0.3419
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.2714 0.2714
Trichomonas vaginalis tubulin epsilon chain, putative 0.0076 0.8418 0.8418
Loa Loa (eye worm) tubulin beta chain 0.0076 0.8418 0.8298
Leishmania major beta tubulin 0.0076 0.8418 0.5
Giardia lamblia Beta tubulin 0.0076 0.8418 0.5
Trypanosoma brucei beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis tubulin, putative 0.0076 0.8418 0.8418
Leishmania major beta tubulin 0.0076 0.8418 0.5
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Schistosoma mansoni chromobox protein 0.0084 1 1
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.3419 1
Leishmania major beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Giardia lamblia Beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis tubulin alpha chain, putative 0.0076 0.8418 0.8418
Loa Loa (eye worm) tubulin beta-4 chain 0.0076 0.8418 0.8298
Leishmania major beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Echinococcus granulosus chromobox protein 1 0.0084 1 1
Plasmodium falciparum tubulin beta chain 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.3419 0.3419
Trichomonas vaginalis chromobox protein, putative 0.0084 1 1
Entamoeba histolytica tubulin family protein 0.0076 0.8418 0.5
Schistosoma mansoni chromobox protein 0.0084 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0076 0.8418 0.8298
Giardia lamblia Beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0076 0.8418 0.8418
Loa Loa (eye worm) BEN-1 protein 0.0076 0.8418 0.8298
Loa Loa (eye worm) tubulin beta-2A chain 0.0076 0.8418 0.8298
Leishmania major beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0076 0.8418 0.8418
Entamoeba histolytica tubulin family protein 0.0076 0.8418 0.5
Brugia malayi beta-tubulin, identical 0.0076 0.8418 0.7829
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.2714 0.7399
Loa Loa (eye worm) beta-tubulin 0.0076 0.8418 0.8298
Leishmania major beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Loa Loa (eye worm) BEN-1 protein 0.0076 0.8418 0.8298
Trypanosoma brucei beta tubulin 0.0076 0.8418 0.5
Trypanosoma brucei beta tubulin 0.0076 0.8418 0.5
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Trypanosoma brucei beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Trypanosoma cruzi beta tubulin, putative 0.0076 0.8418 0.5
Toxoplasma gondii beta tubulin 0.0076 0.8418 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0084 1 1
Brugia malayi Tubulin beta-1 chain 0.0076 0.8418 0.7829
Leishmania major beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0076 0.8418 0.8418
Leishmania major beta tubulin 0.0076 0.8418 0.5
Leishmania major beta tubulin 0.0076 0.8418 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.2714 0.2714
Loa Loa (eye worm) hypothetical protein 0.0047 0.2714 0.216
Leishmania major beta tubulin 0.0076 0.8418 0.5
Echinococcus multilocularis chromobox protein 1 0.0084 1 1
Toxoplasma gondii beta-tubulin, putative 0.0076 0.8418 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 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
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.