Detailed information for compound 1465296

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.702 | Formula: C18H15BrClN5O
  • H donors: 0 H acceptors: 3 LogP: 3.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)C1C(Cl)C(=O)N1/N=C/CCn1nnc2c1cccc2
  • InChi: 1S/C18H15BrClN5O/c19-13-6-3-5-12(11-13)17-16(20)18(26)25(17)21-9-4-10-24-15-8-2-1-7-14(15)22-23-24/h1-3,5-9,11,16-17H,4,10H2/b21-9+
  • InChiKey: WJKMFISAPLDTOQ-ZVBGSRNCSA-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
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0182 0.3513 0.3513
Toxoplasma gondii peptidase, M28 family protein 0.0182 0.3513 0.5
Brugia malayi leucyl aminopeptidase 0.0182 0.3513 0.3513
Schistosoma mansoni nicalin (M28 family) 0.0182 0.3513 0.3513
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0182 0.3513 0.3513
Toxoplasma gondii hypothetical protein 0.0182 0.3513 0.5
Leishmania major hypothetical protein, conserved 0.0182 0.3513 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0503 1 1
Loa Loa (eye worm) leucyl aminopeptidase 0.0182 0.3513 0.3513
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0182 0.3513 0.3513
Mycobacterium tuberculosis Conserved protein 0.0182 0.3513 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0575 0.0575
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.3513 1
Trypanosoma brucei glutaminyl cyclase, putative 0.0182 0.3513 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0767 0.0767
Loa Loa (eye worm) hypothetical protein 0.0182 0.3513 0.3513
Schistosoma mansoni Fxna peptidase (M28 family) 0.0182 0.3513 0.3513
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0182 0.3513 0.3513
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0632 0.1799
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0182 0.3513 1
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0079 0.0079
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.0688 0.0688
Loa Loa (eye worm) hypothetical protein 0.0182 0.3513 0.3513
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0688 0.0688
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0182 0.3513 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0012 0.0079 0.0079
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0079 0.0079
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0079 0.0079
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.0688 0.0688
Loa Loa (eye worm) hypothetical protein 0.0503 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.3513 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0503 1 1
Brugia malayi FXNA 0.0182 0.3513 0.3513
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0079 0.0079
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0182 0.3513 0.3513
Loa Loa (eye worm) hypothetical protein 0.0182 0.3513 0.3513
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0182 0.3513 0.5
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0503 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0632 0.1799
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0182 0.3513 0.3513
Leishmania major glutaminyl cyclase, putative 0.0182 0.3513 0.5
Mycobacterium ulcerans hypothetical protein 0.0182 0.3513 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0079 0.0079
Brugia malayi nicalin 0.0182 0.3513 0.3513
Trypanosoma cruzi glutaminyl cyclase, putative 0.0182 0.3513 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.3513 0.3513
Trypanosoma cruzi glutaminyl cyclase, putative 0.0182 0.3513 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0182 0.3513 0.3513
Schistosoma mansoni voltage-gated potassium channel 0.0046 0.0767 0.0767
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.0688 0.0688
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0503 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.3513 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0079 0.0079

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.1 ug ml-1 Antibacterial activity against Escherichia coli assessed as inhibition of visible growth after 48 hrs by agar dilution method ChEMBL. 21130647
MIC (functional) = 0.5 ug ml-1 Antifungal activity against Candida albicans assessed as inhibition of visible growth after 48 hrs by agar dilution method ChEMBL. 21130647
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv assessed as inhibition of colonies after 30 days by agar microdilution method ChEMBL. 21130647

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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