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

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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