Detailed information for compound 1620062

Basic information

Technical information
  • TDR Targets ID: 1620062
  • Name: 7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2- phenylchromen-4-one
  • MW: 440.49 | Formula: C27H24N2O4
  • H donors: 0 H acceptors: 2 LogP: 4.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1)COc1ccc2c(c1)oc(cc2=O)c1ccccc1
  • InChi: 1S/C27H24N2O4/c30-24-18-25(20-7-3-1-4-8-20)33-26-17-22(11-12-23(24)26)32-19-27(31)29-15-13-28(14-16-29)21-9-5-2-6-10-21/h1-12,17-18H,13-16,19H2
  • InChiKey: VSRMJNSPSMHNEA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-2-phenyl-chromen-4-one
  • 7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-phenyl-4-chromenone
  • 7-[2-keto-2-(4-phenylpiperazin-1-yl)ethoxy]-2-phenyl-chromone
  • AIDS112858
  • 4H-1-Benzopyran-4-one, 7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-phenyl-
  • NCI60_015518
  • NSC645390
  • AIDS-112858

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
Loa Loa (eye worm) heat shock protein 90 0.0229 0.0463 0.0463
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0229 0.0463 0.8727
Echinococcus granulosus heat shock protein 90 0.0229 0.0463 0.0463
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0229 0.0463 1
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0229 0.0463 0.0463
Trichomonas vaginalis endoplasmin, putative 0.0229 0.0463 1
Chlamydia trachomatis DNA gyrase subunit B 0.0229 0.0463 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0006 0.0122
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0229 0.0463 0.0463
Schistosoma mansoni inositol monophosphatase 0.0043 0.0006 0.0006
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0013 0.0271
Mycobacterium ulcerans two component regulator - sensor kinase 0.0229 0.0463 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.1442 0.3432 0.3432
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Plasmodium falciparum heat shock protein 90 0.0229 0.0463 0.5
Trichomonas vaginalis receptor histidine kinase, putative 0.0229 0.0463 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1671 0.3994 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0229 0.0463 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0229 0.0463 0.0463
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0229 0.0463 1
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Mycobacterium tuberculosis Conserved protein 0.0229 0.0463 0.8727
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0086 0.1849
Schistosoma mansoni heat shock protein 0.0229 0.0463 0.0463
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0229 0.0463 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.1442 0.3432 0.3432
Loa Loa (eye worm) hypothetical protein 0.0042 0.0005 0.0005
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0229 0.0463 1
Plasmodium falciparum DNA gyrase subunit B 0.0229 0.0463 0.5
Trichomonas vaginalis heat shock protein, putative 0.0229 0.0463 1
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0229 0.0463 1
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0229 0.0463 0.8727
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0006 0.0006
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0229 0.0463 1
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Schistosoma mansoni chromobox protein 0.0075 0.0086 0.0086
Mycobacterium ulcerans putative regultory protein 0.0229 0.0463 1
Echinococcus multilocularis chromobox protein 1 0.0075 0.0086 0.0086
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0006 0.0006
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0229 0.0463 0.8727
Echinococcus granulosus microtubule associated protein 2 0.2311 0.556 0.556
Mycobacterium leprae Probable two-component sensor kinase 0.0229 0.0463 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0229 0.0463 1
Schistosoma mansoni chromobox protein 0.0075 0.0086 0.0086
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0229 0.0463 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0006 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0005 0.0102
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0229 0.0463 0.8727
Toxoplasma gondii DNA topoisomerase 2, putative 0.0229 0.0463 0.116
Trichomonas vaginalis sensor histidine kinase, putative 0.0229 0.0463 1
Trypanosoma cruzi heat shock protein 85, putative 0.0229 0.0463 0.0463
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Entamoeba histolytica heat shock protein 90, putative 0.0229 0.0463 1
Plasmodium falciparum DNA topoisomerase 2 0.0229 0.0463 0.5
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0229 0.0463 1
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Brugia malayi chromobox protein homolog 3 0.0042 0.0005 0.0005
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0013 0.0271
Plasmodium vivax DNA gyrase subunit B, putative 0.0229 0.0463 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0229 0.0463 0.0463
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0006 0.0014
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0005 0.0102
Trypanosoma cruzi heat shock protein 90, putative 0.0229 0.0463 0.0463
Loa Loa (eye worm) TOPoisomerase family member 0.0229 0.0463 0.0463
Giardia lamblia Heat shock protein HSP 90-alpha 0.0229 0.0463 0.5
Mycobacterium leprae Probable two component sensor kinase MprB 0.0229 0.0463 1
Echinococcus granulosus heat shock protein 0.0229 0.0463 0.0463
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0006 0.0006
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0086 0.1849
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Chlamydia trachomatis DNA gyrase subunit B 0.0229 0.0463 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.0531 1
Schistosoma mansoni endoplasmin 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Leishmania major DNA topoisomerase ii 0.0229 0.0463 0.0463
Toxoplasma gondii heat shock protein 90, putative 0.0229 0.0463 0.116
Loa Loa (eye worm) hypothetical protein 0.0229 0.0463 0.0463
Trypanosoma cruzi heat shock protein 85, putative 0.0229 0.0463 0.0463
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0229 0.0463 0.8727
Loa Loa (eye worm) inositol-1 0.0043 0.0006 0.0006
Trypanosoma cruzi DNA topoisomerase II, putative 0.0229 0.0463 0.0463
Entamoeba histolytica heat shock protein 90, putative 0.0229 0.0463 1
Giardia lamblia Pms1-like protein 0.0229 0.0463 0.5
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0229 0.0463 1
Plasmodium vivax hypothetical protein, conserved 0.0229 0.0463 1
Trypanosoma brucei DNA topoisomerase ii 0.0229 0.0463 0.0463
Schistosoma mansoni inositol monophosphatase 0.0043 0.0006 0.0006
Entamoeba histolytica DNA topoisomerase II, putative 0.0229 0.0463 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0229 0.0463 1
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0229 0.0463 0.8727
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0229 0.0463 0.8727
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0006 0.0006
Brugia malayi Heterochromatin protein 1 0.0075 0.0086 0.0086
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0229 0.0463 1
Leishmania major mitochondrial DNA topoisomerase II 0.0229 0.0463 0.0463
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0229 0.0463 0.8727
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Trypanosoma brucei heat shock protein 90, putative 0.0229 0.0463 0.0463
Trichomonas vaginalis DNA topoisomerase II, putative 0.0229 0.0463 1
Plasmodium falciparum endoplasmin, putative 0.0229 0.0463 0.5
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Trypanosoma cruzi heat shock protein 85, putative 0.0229 0.0463 0.0463
Echinococcus granulosus chromobox protein 1 0.0075 0.0086 0.0086
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Leishmania major hypothetical protein, conserved 0.0229 0.0463 0.0463
Echinococcus multilocularis chromobox protein 1 0.0075 0.0086 0.0086
Plasmodium vivax DNA topoisomerase II, putative 0.0229 0.0463 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0229 0.0463 1
Brugia malayi Probable DNA topoisomerase II 0.0229 0.0463 0.0463
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0229 0.0463 1
Mycobacterium tuberculosis Probable two component sensor kinase 0.0229 0.0463 0.8727
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0229 0.0463 1
Loa Loa (eye worm) endoplasmin 0.0229 0.0463 0.0463
Loa Loa (eye worm) hypothetical protein 0.0229 0.0463 0.0463
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0229 0.0463 0.116
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Schistosoma mansoni pyruvate dehydrogenase 0.3895 0.9438 0.9438
Schistosoma mansoni DNA topoisomerase II 0.0229 0.0463 0.0463
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0229 0.0463 1
Mycobacterium tuberculosis Possible two component sensor kinase 0.0229 0.0463 0.8727
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0229 0.0463 0.8727
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0229 0.0463 0.0463
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0229 0.0463 0.0463
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0006 0.0122
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.1442 0.3432 0.3432
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0229 0.0463 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0229 0.0463 0.0463
Echinococcus granulosus chromobox protein 1 0.0075 0.0086 0.0086
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Plasmodium vivax heat shock protein 86, putative 0.0229 0.0463 1
Trypanosoma cruzi heat shock protein 90, putative 0.0229 0.0463 0.0463
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0086 0.0086
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0006 0.0122
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0229 0.0463 1
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0229 0.0463 1
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Trypanosoma brucei heat shock protein, putative 0.0229 0.0463 0.0463
Brugia malayi Endoplasmin precursor 0.0229 0.0463 0.0463
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0229 0.0463 0.5
Mycobacterium ulcerans two component sensor kinase MprB 0.0229 0.0463 1
Toxoplasma gondii heat shock protein HSP90 0.0229 0.0463 0.116
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0229 0.0463 0.5
Trypanosoma brucei Heat shock protein 83, putative 0.0229 0.0463 0.0463
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0229 0.0463 0.8727
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0005 0.0102
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0006 0.0006
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0229 0.0463 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Schistosoma mansoni pyruvate dehydrogenase 0.3895 0.9438 0.9438
Schistosoma mansoni heat shock protein 0.0229 0.0463 0.0463
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0006 0.0006
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0229 0.0463 0.5
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0229 0.0463 1
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Echinococcus multilocularis heat shock protein 0.0229 0.0463 0.0463
Brugia malayi heat shock protein 90 0.0229 0.0463 0.0463
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0229 0.0463 0.0463
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0013 0.0271
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0229 0.0463 0.116
Trypanosoma cruzi DNA topoisomerase II, putative 0.0229 0.0463 0.0463
Trichomonas vaginalis heat shock protein, putative 0.0229 0.0463 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0229 0.0463 0.0463
Leishmania major heat shock protein 83-1 0.0229 0.0463 0.0463
Plasmodium vivax endoplasmin, putative 0.0229 0.0463 1
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0229 0.0463 0.8727
Echinococcus multilocularis heat shock protein 90 0.0229 0.0463 0.0463
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0229 0.0463 0.5
Echinococcus multilocularis microtubule associated protein 2 0.2311 0.556 0.556
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.1442 0.3432 0.8593
Brugia malayi Inositol-1 0.0043 0.0006 0.0006
Schistosoma mansoni endoplasmin 0.0229 0.0463 0.0463
Schistosoma mansoni microtubule-associated protein tau 0.2311 0.556 0.556
Trypanosoma brucei heat shock protein 90, putative 0.0229 0.0463 0.0463
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0229 0.0463 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.703 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.383 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.336 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.294 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.287 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.148 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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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