Detailed information for compound 1197546

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.19 | Formula: C16H12BrN3O
  • H donors: 0 H acceptors: 3 LogP: 3.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C(=O)Cn1nnc(c1)c1ccccc1
  • InChi: 1S/C16H12BrN3O/c17-14-8-6-13(7-9-14)16(21)11-20-10-15(18-19-20)12-4-2-1-3-5-12/h1-10H,11H2
  • InChiKey: NNSVZVMPVFOEDF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0106 0.0649 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0106 0.0649 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0106 0.0649 0.5
Leishmania major glycerol uptake protein, putative 0.0106 0.0649 1
Echinococcus granulosus zinc finger protein 0.1128 0.9118 0.9057
Leishmania major glycerol uptake protein, putative 0.0106 0.0649 1
Trypanosoma cruzi GUP1, putative 0.0106 0.0649 1
Entamoeba histolytica hypothetical protein 0.0106 0.0649 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0106 0.0649 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0106 0.0649 1
Leishmania major hypothetical protein, conserved 0.0106 0.0649 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0106 0.0649 1
Onchocerca volvulus 0.0106 0.0649 0.5
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0106 0.0649 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0649 0.0649
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.0649 0.5
Brugia malayi Hhat protein 0.0106 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0106 0.0649 0.0649
Toxoplasma gondii hypothetical protein 0.0106 0.0649 1
Loa Loa (eye worm) hhat protein 0.0106 0.0649 0.0649
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.0649 0.5
Brugia malayi diacylglycerol acyltransferase 0.0106 0.0649 0.0649
Brugia malayi MBOAT family protein 0.0106 0.0649 0.0649
Brugia malayi MBOAT family protein 0.0106 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0106 0.0649 0.0649
Trypanosoma brucei glycerol uptake protein, putative 0.0106 0.0649 1
Trypanosoma cruzi glycerol uptake protein, putative 0.0106 0.0649 1
Brugia malayi MBOAT family protein 0.0106 0.0649 0.0649
Leishmania major glycerol uptake protein, putative 0.0106 0.0649 1
Entamoeba histolytica hypothetical protein, conserved 0.0106 0.0649 0.5
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0106 0.0649 1
Loa Loa (eye worm) hhat protein 0.0106 0.0649 0.0649
Trypanosoma brucei glycerol uptake protein, putative 0.0106 0.0649 1
Leishmania major glycerol uptake protein, putative 0.0106 0.0649 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0106 0.0649 0.0649
Trichomonas vaginalis porcupine, putative 0.0106 0.0649 0.5
Loa Loa (eye worm) MBOAT family protein 0.1235 1 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0106 0.0649 0.5
Schistosoma mansoni zinc finger protein 0.1235 1 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0106 0.0649 0.5
Echinococcus multilocularis zinc finger protein 0.1128 0.9118 0.9057
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.0649 0.5
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.1235 1 1
Trypanosoma cruzi GUP1, putative 0.0106 0.0649 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.1235 1 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0649 0.0649
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0904 0.7256 0.7065
Loa Loa (eye worm) MBOAT family protein 0.0106 0.0649 0.0649
Brugia malayi MBOAT family protein 0.0106 0.0649 0.0649
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0106 0.0649 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0106 0.0649 0.5
Loa Loa (eye worm) MBOAT family protein 0.0106 0.0649 0.0649
Leishmania major glycerol uptake protein, putative 0.0106 0.0649 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0106 0.0649 0.0649

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 300 uM Antiproliferative activity against human A549 cells after 48 hrs by MTT assay ChEMBL. 20833451
IC50 (functional) > 300 uM Antiproliferative activity against human HT-29 cells after 48 hrs by MTT assay ChEMBL. 20833451
IC50 (functional) > 300 uM Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay ChEMBL. 20833451

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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