Detailed information for compound 1291040

Basic information

Technical information
  • TDR Targets ID: 1291040
  • Name: 2-(5,5-dioxophenothiazin-10-yl)-N-(2-methoxy- 5-methylphenyl)acetamide
  • MW: 408.47 | Formula: C22H20N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CN1c2ccccc2S(=O)(=O)c2c1cccc2)C
  • InChi: 1S/C22H20N2O4S/c1-15-11-12-19(28-2)16(13-15)23-22(25)14-24-17-7-3-5-9-20(17)29(26,27)21-10-6-4-8-18(21)24/h3-13H,14H2,1-2H3,(H,23,25)
  • InChiKey: PHCRBKNOFHXZFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(5,5-dioxophenothiazin-10-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-(5,5-dioxo-10-phenothiazinyl)-N-(2-methoxy-5-methylphenyl)acetamide
  • 2-(5,5-diketophenothiazin-10-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide
  • 2-(5,5-dioxophenothiazin-10-yl)-N-(2-methoxy-5-methyl-phenyl)ethanamide
  • G233-0167
  • NCGC00129743-01

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 ran 0.0025 0.0437 0.0437
Brugia malayi hypothetical protein 0.0233 0.6464 1
Leishmania major importin beta-1 subunit, putative 0.0027 0.0509 1
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0691 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.6464 0.6464
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.3712 0.3712
Brugia malayi RNA, U transporter 1 0.0095 0.2465 0.3813
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.6464 0.6464
Schistosoma mansoni hypothetical protein 0.0048 0.1102 0.1102
Schistosoma mansoni importin beta-1 0.0033 0.0691 0.0691
Plasmodium falciparum importin beta, putative 0.0033 0.0691 1
Echinococcus granulosus importin subunit beta 1 0.0033 0.0691 0.0691
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0025 0.0437 0.5
Schistosoma mansoni survival motor neuron protein 0.0048 0.1102 0.1102
Onchocerca volvulus 0.0048 0.1102 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1102 0.1705
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0509 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0691 0.0691
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0691 0.0691
Schistosoma mansoni ran 0.0025 0.0437 0.0437
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0509 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0025 0.0437 0.0437
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0691 1
Brugia malayi MH2 domain containing protein 0.0138 0.3712 0.5743
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0509 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0025 0.0437 0.0676
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0509 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0691 1
Brugia malayi Importin beta-1 subunit 0.0033 0.0691 0.1069
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0025 0.0437 0.0437
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.6464 0.6464
Entamoeba histolytica hypothetical protein 0.0027 0.0509 1
Plasmodium vivax importin-beta 2, putative 0.0033 0.0691 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0025 0.0437 0.0437
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.3712 0.3712

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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