Detailed information for compound 911492

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.27 | Formula: C22H15BrN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC(=O)c1cc2cc(Br)ccc2oc1=Nc1cccc2c1cccc2
  • InChi: 1S/C22H15BrN2O3/c1-13(26)24-21(27)18-12-15-11-16(23)9-10-20(15)28-22(18)25-19-8-4-6-14-5-2-3-7-17(14)19/h2-12H,1H3,(H,24,26,27)/b25-22-
  • InChiKey: WOJSKVCVIGUWNI-LVWGJNHUSA-N  


Substructure search Similarity search

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 mitogen activated protein kinase 0.0049 0.046 0.0416
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0241 0.0195
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0255 0.021
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0163 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0241 0.4698
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0049 0.046 0.7142
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0386 0.0341
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0386 0.0341
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0255 0.021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0241 0.0621
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0255 0.505
Mycobacterium ulcerans hypothetical protein 0.0035 0.0241 0.3355
Brugia malayi hypothetical protein 0.003 0.0163 0.0512
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0163 0.2816
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0241 0.063
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0241 0.063
Onchocerca volvulus 0.0035 0.0241 0.5
Entamoeba histolytica hypothetical protein 0.0042 0.0342 1
Brugia malayi beta-lactamase 0.0035 0.0241 0.0757
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0386 0.0341
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0241 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0241 0.0621
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.3179 1
Leishmania major hypothetical protein, conserved 0.003 0.0163 0.2011
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.046 1
Schistosoma mansoni hypothetical protein 0.0042 0.0342 0.0297
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0241 0.0621
Brugia malayi hypothetical protein 0.0042 0.0342 0.1074
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.046 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0241 0.3355
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0255 0.505
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0255 0.021
Onchocerca volvulus 0.0035 0.0241 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.3136 1
Echinococcus granulosus neuropeptide s receptor 0.0453 0.6627 0.6611
Brugia malayi MAP kinase sur-1 0.0049 0.046 0.1448
Schistosoma mansoni hypothetical protein 0.017 0.2309 0.2273
Schistosoma mansoni hypothetical protein 0.0033 0.021 0.0164
Loa Loa (eye worm) hypothetical protein 0.0035 0.0241 0.0621
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0626 0.0582
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0241 0.063
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0255 0.021
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0255 0.021
Brugia malayi follicle stimulating hormone receptor 0.0227 0.3179 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0255 0.7079
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.046 1
Entamoeba histolytica hypothetical protein 0.0042 0.0342 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0626 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.046 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0241 0.4698
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0444 0.127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0386 0.0341
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.021 0.0659
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0626 0.0582
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0241 0.063
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0163 0.2816
Loa Loa (eye worm) hypothetical protein 0.0048 0.0444 0.127
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0163 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0342 0.0297
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0255 0.021
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0241 0.3355
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0626 0.1877
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0626 0.0582
Echinococcus granulosus neuropeptide receptor A26 0.0453 0.6627 0.6611
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0386 0.0341
Loa Loa (eye worm) beta-lactamase 0.0035 0.0241 0.0621
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0444 0.1396
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0046 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0386 0.1214
Schistosoma mansoni microtubule-associated protein tau 0.0673 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0241 0.0757
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0163 0.5993
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0241 0.0195
Mycobacterium tuberculosis Conserved protein 0.0035 0.0241 0.063
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0444 0.1396
Brugia malayi beta-lactamase family protein 0.0035 0.0241 0.0757
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.046 0.0416
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0626 0.0582
Leishmania major hypothetical protein, conserved 0.0035 0.0241 0.3355
Toxoplasma gondii ABC1 family protein 0.0035 0.0241 0.3355
Echinococcus multilocularis microtubule associated protein 2 0.0673 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0626 1
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.046 0.0416
Trichomonas vaginalis esterase, putative 0.0035 0.0241 0.4698
Trypanosoma brucei protein kinase, putative 0.0049 0.046 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0241 0.063
Mycobacterium leprae Probable lipase LipE 0.0035 0.0241 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0241 0.4698
Loa Loa (eye worm) hypothetical protein 0.003 0.0163 0.0372
Brugia malayi beta-lactamase family protein 0.0035 0.0241 0.0757
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0342 0.0297
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0255 0.505
Entamoeba histolytica hypothetical protein 0.0042 0.0342 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0241 0.0195
Loa Loa (eye worm) hypothetical protein 0.0033 0.021 0.0522
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0241 0.0195
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.046 1
Onchocerca volvulus 0.0035 0.0241 0.5
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0255 0.505
Loa Loa (eye worm) hypothetical protein 0.0035 0.0241 0.0621
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.046 0.0416
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0241 0.4698
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0626 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0049 0.046 0.7142
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0255 0.021
Loa Loa (eye worm) hypothetical protein 0.0035 0.0241 0.0621
Echinococcus granulosus FTZ F1 alpha 0.047 0.6895 0.688
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0255 0.0803
Loa Loa (eye worm) hypothetical protein 0.0035 0.0241 0.0621
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0241 0.3355
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0386 0.0341
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0255 0.505
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0241 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.046 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0626 1
Echinococcus multilocularis neuropeptide s receptor 0.0453 0.6627 0.6611
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.046 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0241 0.4698
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.046 0.0416
Schistosoma mansoni hypothetical protein 0.017 0.2309 0.2273
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0241 0.4698
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0163 0.2816
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0241 0.4698
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0241 0.063
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.046 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0342 0.0297
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0255 0.505
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0255 0.3607
Entamoeba histolytica hypothetical protein 0.0042 0.0342 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0241 0.4698
Mycobacterium ulcerans lipase LipD 0.0035 0.0241 0.3355
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0241 0.063
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0241 0.063
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.046 1
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0046 0.0145
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.046 0.7142
Echinococcus multilocularis geminin 0.017 0.2309 0.2273
Mycobacterium tuberculosis Conserved protein 0.0035 0.0241 0.063
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0255 0.505
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.046 0.1322
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0626 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0386 0.1085
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0386 0.0341
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0255 0.021
Loa Loa (eye worm) hypothetical protein 0.0036 0.0255 0.0668
Echinococcus multilocularis neuropeptide receptor A26 0.0453 0.6627 0.6611
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0163 0.2011
Echinococcus granulosus geminin 0.017 0.2309 0.2273
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0046 0.5

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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