Detailed information for compound 784651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.232 | Formula: C17H17BrN2O4
  • H donors: 2 H acceptors: 2 LogP: 3.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(cc1O)C
  • InChi: 1S/C17H17BrN2O4/c1-11-3-4-12(14(21)7-11)9-19-20-17(22)10-24-15-6-5-13(18)8-16(15)23-2/h3-9,21H,10H2,1-2H3,(H,20,22)/b19-9+
  • InChiKey: MCTUZQKSKHOOEI-DJKKODMXSA-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 sterol regulatory element binding protein 0.0044 0.0319 0.0418
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.264 0.3439
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7635 1
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0319 0.0418
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0022 0.0029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.264 0.3458
Onchocerca volvulus 0.0038 0.0022 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.264 0.3458
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7635 1
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.7635 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0802 0.1025
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7635 1
Toxoplasma gondii ABC1 family protein 0.0038 0.0022 0.5
Echinococcus granulosus expressed conserved protein 0.0097 0.2873 0.3763
Brugia malayi beta-lactamase 0.0038 0.0022 0.0029
Schistosoma mansoni hypothetical protein 0.0043 0.0241 0.0316
Loa Loa (eye worm) hypothetical protein 0.0044 0.0319 0.039
Echinococcus multilocularis geminin 0.0164 0.6159 0.8066
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.264 0.3458
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0022 0.5
Echinococcus multilocularis tar DNA binding protein 0.0194 0.7635 1
Echinococcus granulosus Niemann Pick C1 protein 0.0147 0.5325 0.6974
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.264 0.3458
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0022 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0022 0.0029
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.7635 1
Echinococcus multilocularis expressed conserved protein 0.0097 0.2873 0.3763
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0319 0.0418
Onchocerca volvulus 0.0038 0.0022 0.5
Brugia malayi CHE-14 protein 0.0044 0.0319 0.0418
Mycobacterium ulcerans hypothetical protein 0.0038 0.0022 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0319 1
Echinococcus granulosus geminin 0.0164 0.6159 0.8066
Schistosoma mansoni hypothetical protein 0.0043 0.0241 0.0316
Schistosoma mansoni patched 1 0.0044 0.0319 0.0418
Echinococcus granulosus tar DNA binding protein 0.0194 0.7635 1
Schistosoma mansoni hypothetical protein 0.0043 0.0241 0.0316
Brugia malayi beta-lactamase family protein 0.0038 0.0022 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7635 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.3177 0.4161
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.3177 0.4161
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 0.5325 0.6974
Brugia malayi RNA binding protein 0.0194 0.7635 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0022 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.6159 0.8066
Schistosoma mansoni tar DNA-binding protein 0.0194 0.7635 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0319 0.039
Mycobacterium ulcerans beta-lactamase 0.0038 0.0022 0.5
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0022 0.5
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.3177 0.4161
Mycobacterium leprae Probable lipase LipE 0.0038 0.0022 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.264 0.3458
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.3177 1
Leishmania major hypothetical protein, conserved 0.0038 0.0022 0.5
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.3254 0.4262
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0022 0.0029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0022 0.0029
Schistosoma mansoni hypothetical protein 0.0043 0.0241 0.0316
Mycobacterium ulcerans lipase LipD 0.0038 0.0022 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.6159 0.8066
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0022 0.5
Echinococcus multilocularis protein dispatched 1 0.005 0.0623 0.0815
Loa Loa (eye worm) hypothetical protein 0.0103 0.3177 0.4144
Brugia malayi TAR-binding protein 0.0194 0.7635 1
Onchocerca volvulus 0.0038 0.0022 0.5
Loa Loa (eye worm) RNA binding protein 0.0194 0.7635 1
Brugia malayi beta-lactamase family protein 0.0038 0.0022 0.0029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.264 0.3458
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.264 0.3458
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0022 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0022 0.0029
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0022 0.5
Echinococcus multilocularis protein patched 0.0044 0.0319 0.0418
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.264 0.3458
Loa Loa (eye worm) TAR-binding protein 0.0194 0.7635 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.
 
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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