Detailed information for compound 1508950

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.305 | Formula: C18H12FN3O2
  • H donors: 2 H acceptors: 2 LogP: 3.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1NC(=O)c1cccc2c1nc([nH]2)c1ccco1
  • InChi: 1S/C18H12FN3O2/c19-12-6-1-2-7-13(12)21-18(23)11-5-3-8-14-16(11)22-17(20-14)15-9-4-10-24-15/h1-10H,(H,20,22)(H,21,23)
  • InChiKey: TVZCILIVRYLUAT-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
Wolbachia endosymbiont of Brugia malayi biotin-(acetyl-CoA carboxylase) ligase 0.0256 0.1827 1
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Leishmania major biotin/lipoate protein ligase-like protein 0.0256 0.1827 1
Chlamydia trachomatis hypothetical protein 0.0268 0.1924 1
Plasmodium vivax biotin--[acetyl-CoA-carboxylase] synthetase, putative 0.0256 0.1827 1
Brugia malayi lipoate-protein ligase, mitochondrial precursor, putative 0.0074 0.0431 0.0474
Trypanosoma cruzi Biotin--acetyl-CoA-carboxylase ligase, putative 0.0256 0.1827 1
Trichomonas vaginalis nicotinate phosphoribosyltransferase, putative 0.0152 0.1031 1
Onchocerca volvulus Lipoyltransferase 1, mitochondrial homolog 0.0074 0.0431 0.5
Echinococcus multilocularis tyrosine protein kinase Abl 0.0037 0.0145 0.0118
Trypanosoma brucei nicotinate phosphoribosyltransferase, putative 0.0152 0.1031 0.4297
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Schistosoma mansoni nicotinate phosphoribosyltransferase 0.0152 0.1031 0.167
Plasmodium falciparum biotin protein ligase, putative 0.0256 0.1827 1
Echinococcus granulosus N terminal of biotin protein ligase 0.0268 0.1924 0.2601
Loa Loa (eye worm) hypothetical protein 0.0026 0.0059 0.0088
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.082 0.6171 1
Mycobacterium tuberculosis Possible bifunctional protein BirA: biotin operon repressor + biotin--[acetyl-CoA-carboxylase] synthetase (biotin--protein ligas 0.0181 0.1257 0.1645
Onchocerca volvulus Putative lipoyltransferase 2, mitochondrial 0.0074 0.0431 0.5
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB1 0.0152 0.1031 0.1195
Schistosoma mansoni biotin-protein ligase 0.0256 0.1827 0.2961
Echinococcus multilocularis biotin protein ligase 0.0256 0.1827 0.2876
Plasmodium falciparum biotin--acetyl-CoA-carboxylase, putative 0.0256 0.1827 1
Echinococcus granulosus 5'partial|biotin protein ligase 0.0181 0.1257 0.1439
Loa Loa (eye worm) TK/ABL protein kinase 0.0091 0.056 0.0899
Loa Loa (eye worm) hypothetical protein 0.0028 0.0079 0.0119
Treponema pallidum biotin--acetyl-CoA-carboxylase ligase 0.0727 0.5452 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0125 0.0195
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Brugia malayi lipoate-protein ligase B containing protein 0.0074 0.0431 0.0474
Loa Loa (eye worm) hypothetical protein 0.0181 0.1257 0.203
Toxoplasma gondii lipoyl(octanoyl) transferase 0.0074 0.0431 0.5
Brugia malayi Tyrosine-protein kinase abl-1 0.0055 0.0284 0.0231
Chlamydia trachomatis biotin synthetase 0.0256 0.1827 0.9353
Mycobacterium ulcerans bifunctional protein BirA 0.0652 0.4881 0.4651
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Trypanosoma cruzi nicotinate phosphoribosyltransferase, putative 0.0152 0.1031 0.4297
Echinococcus granulosus tyrosine protein kinase ABL1 0.0091 0.056 0.0224
Brugia malayi biotin--acetyl-CoA-carboxylase ligase family protein 0.0256 0.1827 0.2791
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0091 0.056 0.0797
Mycobacterium tuberculosis Nicotinic acid phosphoribosyltransferase PncB2 0.0152 0.1031 0.1195
Mycobacterium leprae POSSIBLE BIFUNCTIONAL PROTEIN BirA: BIOTIN OPERON REPRESSOR + BIOTIN--[ACETYL-COA-CARBOXYLASE] SYNTHETASE (BIOTIN--PROTEIN LIGAS 0.0181 0.1257 1
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Plasmodium falciparum nicotinate phosphoribosyltransferase, putative 0.0152 0.1031 0.4297
Entamoeba histolytica biotin--acetyl-CoA-carboxylase ligase, putative 0.0256 0.1827 0.9308
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Leishmania major nicotinate phosphoribosyltransferase, putative 0.0152 0.1031 0.4297
Loa Loa (eye worm) pre-B cell enhancing factor 0.082 0.6171 1
Loa Loa (eye worm) biotin protein ligase 1 0.0256 0.1827 0.2955
Loa Loa (eye worm) hypothetical protein 0.0181 0.1257 0.203
Schistosoma mansoni lipoate-protein ligase B 0.0074 0.0431 0.0698
Giardia lamblia Hypothetical protein 0.0256 0.1827 0.5
Echinococcus multilocularis octanoyltransferase, mitochondrial 0.0074 0.0431 0.0586
Entamoeba histolytica nicotinate phosphoribosyltransferase, putative 0.0152 0.1031 0.3605
Echinococcus granulosus nicotinamide phosphoribosyltransferase 0.082 0.6171 1
Echinococcus multilocularis biotin protein ligase 0.0256 0.1827 0.2876
Trypanosoma brucei Biotin--acetyl-CoA-carboxylase ligase, putative 0.0256 0.1827 1
Echinococcus multilocularis nicotinamide phosphoribosyltransferase 0.082 0.6171 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0431 0.069
Schistosoma mansoni biotin-protein ligase 0.0268 0.1924 0.3117
Schistosoma mansoni tyrosine kinase 0.009 0.0549 0.089
Brugia malayi Pre-B cell enhancing factor precursor 0.082 0.6171 1
Schistosoma mansoni nicotinate phosphoribosyltransferase related pre-B cell enhancing factor 0.0152 0.1031 0.167
Echinococcus multilocularis N terminal of biotin protein ligase 0.0268 0.1924 0.3034
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1
Trypanosoma cruzi Biotin--acetyl-CoA-carboxylase ligase, putative 0.0256 0.1827 1
Entamoeba histolytica hypothetical protein, conserved 0.0268 0.1924 1

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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