Detailed information for compound 1889480

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.846 | Formula: C17H17ClN2O3S
  • H donors: 0 H acceptors: 2 LogP: 3.04 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)/C(=N\S(=O)(=O)c1ccccc1)/N1CCOCC1
  • InChi: 1S/C17H17ClN2O3S/c18-15-8-6-14(7-9-15)17(20-10-12-23-13-11-20)19-24(21,22)16-4-2-1-3-5-16/h1-9H,10-13H2/b19-17+
  • InChiKey: XVBMGXHPNGGCFH-HTXNQAPBSA-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
Echinococcus granulosus chromobox protein 1 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
Theileria parva hypothetical protein 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
Loa Loa (eye worm) heterochromatin protein 1 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
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
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
Echinococcus multilocularis 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
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
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

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
Onchocerca volvulus 0.0181 0.2836 1
Schistosoma mansoni chromobox protein 0.0084 0.0785 0.2064
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0785 0.2767
Brugia malayi Heterochromatin protein 1 0.0084 0.0785 0.2767
Echinococcus granulosus chromobox protein 1 0.0084 0.0785 0.2064
Echinococcus granulosus lysine specific histone demethylase 1A 0.0169 0.2594 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0169 0.2594 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0785 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0062 0.0314 0.5
Schistosoma mansoni chromobox protein 0.0084 0.0785 0.2064
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0062 0.0314 0.5
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0076 0.0969
Echinococcus granulosus chromobox protein 1 0.0084 0.0785 0.2064
Trypanosoma cruzi UDP-galactopyranose mutase 0.0062 0.0314 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0314 0.1108
Loa Loa (eye worm) hypothetical protein 0.0169 0.2594 0.9147
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0518 1 1
Brugia malayi amine oxidase, flavin-containing family protein 0.0073 0.0556 0.1961
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0076 0.0969
Loa Loa (eye worm) hypothetical protein 0.0062 0.0314 0.1108
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0169 0.2594 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0062 0.0314 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0062 0.0314 0.5
Brugia malayi hypothetical protein 0.0062 0.0314 0.1108
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0314 0.5
Leishmania major UDP-galactopyranose mutase 0.0062 0.0314 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0456 0.8685 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0062 0.0314 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0062 0.0314 0.5
Echinococcus multilocularis chromobox protein 1 0.0084 0.0785 0.2064
Brugia malayi SWIRM domain containing protein 0.0181 0.2836 1
Plasmodium vivax hypothetical protein, conserved 0.0062 0.0314 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0785 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0062 0.0314 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0556 0.1961
Echinococcus multilocularis chromobox protein 1 0.0084 0.0785 0.2064
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0062 0.0314 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0062 0.0314 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0062 0.0314 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0076 0.0268
Loa Loa (eye worm) hypothetical protein 0.0181 0.2836 1
Loa Loa (eye worm) hypothetical protein 0.0169 0.2594 0.9147

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0035 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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, 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.

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