Detailed information for compound 1464194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 523.383 | Formula: C27H19BrN6O
  • H donors: 1 H acceptors: 4 LogP: 6.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)c1nnc(o1)c1cnc2n(c1)c(Nc1ccccc1)c(n2)c1ccc(cc1)Br
  • InChi: 1S/C27H19BrN6O/c1-17-7-9-19(10-8-17)25-32-33-26(35-25)20-15-29-27-31-23(18-11-13-21(28)14-12-18)24(34(27)16-20)30-22-5-3-2-4-6-22/h2-16,30H,1H3
  • InChiKey: KIDBNFOMQNCAIH-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
Brugia malayi beta-lactamase family protein 0.0039 0.0177 0.0193
Loa Loa (eye worm) hypothetical protein 0.0039 0.0177 0.0193
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0177 0.5
Onchocerca volvulus 0.0039 0.0177 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0177 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0177 0.0177
Leishmania major macrophage migration inhibitory factor-like protein 0.0338 0.9185 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1979 0.1979
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1979 0.1979
Brugia malayi beta-lactamase family protein 0.0039 0.0177 0.0193
Giardia lamblia Macrophage migration inhibitory factor 0.0338 0.9185 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1145 0.1246
Leishmania major macrophage migration inhibitory factor-like protein 0.0338 0.9185 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0338 0.9185 1
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0177 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0177 0.0193
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0177 0.0177
Mycobacterium ulcerans beta-lactamase 0.0039 0.0177 0.5
Echinococcus multilocularis geminin 0.0365 1 1
Onchocerca volvulus 0.0039 0.0177 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.1979 0.2155
Schistosoma mansoni hypothetical protein 0.0365 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0144 0.3353 0.365
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1979 0.1979
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0338 0.9185 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0177 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.6449 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0338 0.9185 0.5
Mycobacterium ulcerans lipase LipD 0.0039 0.0177 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0177 0.0193
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0177 0.0193
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1979 0.1979
Schistosoma mansoni hypothetical protein 0.0365 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0144 0.3353 0.365
Brugia malayi Bm-MIF-1, identical 0.0338 0.9185 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.2131 0.2321
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0338 0.9185 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.1979 0.1979
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0338 0.9185 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0177 0.0193
Loa Loa (eye worm) hypothetical protein 0.0104 0.2131 0.2321
Brugia malayi beta-lactamase 0.0039 0.0177 0.0193
Loa Loa (eye worm) hypothetical protein 0.0039 0.0177 0.0193
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0338 0.9185 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0177 0.0177
Onchocerca volvulus 0.0039 0.0177 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0177 0.0193
Schistosoma mansoni hypothetical protein 0.0071 0.1145 0.1145
Mycobacterium ulcerans hypothetical protein 0.0039 0.0177 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.1979 0.2155
Loa Loa (eye worm) beta-lactamase 0.0039 0.0177 0.0193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.1979 0.1979
Loa Loa (eye worm) hypothetical protein 0.0039 0.0177 0.0193
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0177 0.0177
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0177 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0338 0.9185 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.2131 0.2321
Loa Loa (eye worm) hypothetical protein 0.0071 0.1145 0.1246
Mycobacterium leprae Probable lipase LipE 0.0039 0.0177 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.2131 0.2321
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0177 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.1979 0.1979

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 8.56 ug ml-1 Antimicrobial activity against Escherichia coli after 24 hrs by ELISA ChEMBL. 20934788

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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