Detailed information for compound 1739788

Basic information

Technical information
  • TDR Targets ID: 1739788
  • Name: 1-[4-(benzoyl)piperazin-1-yl]-2-[4-fluoro-7-( 5-methoxy-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl ]ethane-1,2-dione
  • MW: 477.445 | Formula: C24H20FN5O5
  • H donors: 1 H acceptors: 5 LogP: 2.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1onc(n1)c1ccc(c2c1[nH]cc2C(=O)C(=O)N1CCN(CC1)C(=O)c1ccccc1)F
  • InChi: 1S/C24H20FN5O5/c1-34-24-27-21(28-35-24)15-7-8-17(25)18-16(13-26-19(15)18)20(31)23(33)30-11-9-29(10-12-30)22(32)14-5-3-2-4-6-14/h2-8,13,26H,9-12H2,1H3
  • InChiKey: ROADLLYZVWSKNS-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[4-fluoro-7-(5-methoxy-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-[4-(oxo-phenylmethyl)-1-piperazinyl]ethane-1,2-dione
  • 1-[4-fluoro-7-(5-methoxy-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-(4-phenylcarbonylpiperazin-1-yl)ethane-1,2-dione
  • 2-(4-Benzoylpiperazin-1-yl)-1-[4-fluoro-7-(5-methoxy-1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-oxoethanone-
  • AIDS-171299
  • AIDS171299

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) MBOAT family protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) hypothetical protein 0.0446 0.1627 0.1627
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0139 0.0139
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0446 0.1627 0.1627
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0446 0.1627 0.1627
Trypanosoma cruzi glycerol uptake protein, putative 0.0446 0.1627 0.5
Leishmania major glycerol uptake protein, putative 0.0446 0.1627 0.5
Schistosoma mansoni sterol O-acyltransferase 1 0.0446 0.1627 0.1627
Trichomonas vaginalis transmembrane protein nessy, putative 0.0446 0.1627 0.5
Schistosoma mansoni hypothetical protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0423 0.0423
Brugia malayi MBOAT family protein 0.0446 0.1627 0.1627
Leishmania major glycerol uptake protein, putative 0.0446 0.1627 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0446 0.1627 0.1627
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0446 0.1627 0.1627
Onchocerca volvulus 0.0446 0.1627 0.5
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0446 0.1627 0.1627
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0446 0.1627 0.1627
Trichomonas vaginalis conserved hypothetical protein 0.0446 0.1627 0.5
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.2653 1 1
Leishmania major hypothetical protein, conserved 0.0446 0.1627 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0139 0.0139
Brugia malayi MH2 domain containing protein 0.0128 0.0423 0.0423
Loa Loa (eye worm) hypothetical protein 0.0054 0.0139 0.0139
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0446 0.1627 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0446 0.1627 0.5
Brugia malayi MBOAT family protein 0.0446 0.1627 0.1627
Leishmania major glycerol uptake protein, putative 0.0446 0.1627 0.5
Loa Loa (eye worm) hypothetical protein 0.0446 0.1627 0.1627
Entamoeba histolytica hypothetical protein 0.0446 0.1627 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0075 0.0075
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0423 0.0423
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0446 0.1627 0.1627
Loa Loa (eye worm) diacylglycerol acyltransferase 0.2653 1 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0446 0.1627 0.1627
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.2653 1 1
Echinococcus granulosus sterol O acyltransferase 1 0.0446 0.1627 0.1627
Trypanosoma cruzi glycerol uptake protein, putative 0.0446 0.1627 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) hypothetical protein 0.0446 0.1627 0.1627
Trypanosoma cruzi GUP1, putative 0.0446 0.1627 0.5
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.2653 1 1
Entamoeba histolytica vacuolar protein sorting 26 0.0446 0.1627 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.2653 1 0.5
Leishmania major glycerol uptake protein, putative 0.0446 0.1627 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0446 0.1627 0.5
Loa Loa (eye worm) MBOAT family protein 0.0446 0.1627 0.1627
Trichomonas vaginalis porcupine, putative 0.0446 0.1627 0.5
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0446 0.1627 0.1627
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0446 0.1627 0.1627
Brugia malayi Hhat protein 0.0446 0.1627 0.1627
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0446 0.1627 0.1627
Brugia malayi MBOAT family protein 0.0446 0.1627 0.1627
Treponema pallidum alginate O-acetylation protein (algI) 0.0446 0.1627 0.5
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0446 0.1627 0.1627
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0446 0.1627 0.1627
Entamoeba histolytica hypothetical protein, conserved 0.0446 0.1627 0.5
Brugia malayi MBOAT family protein 0.0446 0.1627 0.1627
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0139 0.0139
Schistosoma mansoni hypothetical protein 0.0037 0.0075 0.0075
Echinococcus granulosus o acyltransferase membrane bound domain 0.0446 0.1627 0.1627
Brugia malayi MBOAT family protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) hhat protein 0.0446 0.1627 0.1627
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.2653 1 0.5
Trypanosoma cruzi GUP1, putative 0.0446 0.1627 0.5
Schistosoma mansoni zinc finger protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) hypothetical protein 0.2207 0.8308 0.8308
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0446 0.1627 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0446 0.1627 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0075 0.0075
Echinococcus granulosus o acyltransferase membrane bound domain 0.0446 0.1627 0.1627
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0446 0.1627 0.1627
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0446 0.1627 0.1627
Trypanosoma brucei glycerol uptake protein, putative 0.0446 0.1627 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.2653 1 1
Leishmania major glycerol uptake protein, putative 0.0446 0.1627 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0446 0.1627 0.1627
Loa Loa (eye worm) MBOAT family protein 0.0446 0.1627 0.1627
Trypanosoma brucei glycerol uptake protein, putative 0.0446 0.1627 0.5
Loa Loa (eye worm) hypothetical protein 0.0446 0.1627 0.1627
Loa Loa (eye worm) hhat protein 0.0446 0.1627 0.1627
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0446 0.1627 0.1627
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.2653 1 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0446 0.1627 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 44 uM Cytotoxicity against human HeLa CD4+ CCR5+ cells after 6 days by XTT assay ChEMBL. 23200249

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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