Detailed information for compound 187634

Basic information

Technical information
  • TDR Targets ID: 187634
  • Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenox azin-10-ylethanone
  • MW: 353.415 | Formula: C20H23N3O3
  • H donors: 1 H acceptors: 2 LogP: 1.64 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)CC(=O)N1c2ccccc2Oc2c1cccc2
  • InChi: 1S/C20H23N3O3/c24-14-13-21-9-11-22(12-10-21)15-20(25)23-16-5-1-3-7-18(16)26-19-8-4-2-6-17(19)23/h1-8,24H,9-15H2
  • InChiKey: SWGBEONZWWQJCG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenoxazin-10-yl-ethanone
  • 2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(10-phenoxazinyl)ethanone
  • 2-[4-(2-hydroxyethyl)piperazino]-1-phenoxazin-10-yl-ethanone

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
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1812 0.4169 0.4169
Loa Loa (eye worm) MH2 domain-containing protein 0.0098 0.0062 0.0062
Mycobacterium leprae Possible phosphoglycerate mutase 0.0072 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.4175 0.9828 0.9828
Onchocerca volvulus 0.0124 0.0124 0.0124
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0072 0 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.016 0.016
Plasmodium vivax phosphoglucomutase-2, putative 0.0072 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0072 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.4175 0.9828 0.9828
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4175 0.9828 0.9828
Loa Loa (eye worm) hypothetical protein 0.0124 0.0124 0.0124
Echinococcus multilocularis geminin 0.0139 0.016 0.016
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.1812 0.4169 0.4169
Brugia malayi hypothetical protein 0.0124 0.0124 1
Mycobacterium leprae probable isochorismate synthase EntC 0.0072 0 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.2506 0.5831 1
Schistosoma mansoni 6-phosphofructokinase 0.4247 1 1
Mycobacterium leprae conserved hypothetical protein 0.0072 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0072 0 0.5
Mycobacterium ulcerans hypothetical protein 0.2506 0.5831 1
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0072 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0072 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0072 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4247 1 1
Plasmodium falciparum phosphoglucomutase-2 0.0072 0 0.5
Loa Loa (eye worm) hypothetical protein 0.2435 0.566 0.566
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0072 0 0.5
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0072 0 0.5
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0072 0 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0072 0 0.5
Plasmodium falciparum phosphoglycerate mutase, putative 0.0072 0 0.5
Onchocerca volvulus 0.4247 1 1
Toxoplasma gondii phosphoglycerate mutase 0.0072 0 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4247 1 1
Schistosoma mansoni hypothetical protein 0.0139 0.016 0.016
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4247 1 1
Mycobacterium tuberculosis Conserved protein 0.0072 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0072 0 0.5
Treponema pallidum phosphoglyceromutase 0.0072 0 0.5
Giardia lamblia Hypothetical protein 0.2506 0.5831 0.5
Echinococcus granulosus geminin 0.0139 0.016 0.016
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0072 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0072 0 0.5
Giardia lamblia Hypothetical protein 0.2506 0.5831 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0072 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0072 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4247 1 1
Mycobacterium leprae conserved hypothetical protein 0.0072 0 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0072 0 0.5
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0072 0 0.5
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0072 0 0.5
Plasmodium vivax phosphoglycerate mutase, putative 0.0072 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.4175 0.9828 0.9828
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0072 0 0.5
Loa Loa (eye worm) hypothetical protein 0.4175 0.9828 0.9828
Loa Loa (eye worm) transcription factor SMAD2 0.0098 0.0062 0.0062
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1812 0.4169 0.4169
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.4247 1 1
Loa Loa (eye worm) hypothetical protein 0.4247 1 1
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.2506 0.5831 1
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0072 0 0.5
Brugia malayi MH2 domain containing protein 0.0098 0.0062 0.5003
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0072 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0072 0 0.5
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0072 0 0.5
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0072 0 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1812 0.4169 0.4169
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0072 0 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0072 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 157 % Increase in the accumulation of vincristine in multi-drug resistant GC3/Cl (human adenocarcinoma) cell line in vitro. ChEMBL. 1527786
Control (functional) = 280 % Increase in the accumulation of vincristine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro. ChEMBL. 1527786
Control (functional) = 280 % Increase in the accumulation of vincristine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro. ChEMBL. 1527786
Control (functional) = 426 % Increase in the accumulation of vinblastine in multi-drug resistant GC3/Cl (human adenocarcinoma) cell line in vitro. ChEMBL. 1527786
Control (functional) = 776 % Increase in the accumulation of vinblastine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro. ChEMBL. 1527786
Control (functional) = 776 % Increase in the accumulation of vinblastine in multi-drug resistant KB8-5 (HeLa variant) cell line in vitro. ChEMBL. 1527786

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

1 literature reference was collected for this gene.

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