Detailed information for compound 1030488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.345 | Formula: C17H31BrN2
  • H donors: 0 H acceptors: 0 LogP: 6.03 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCN=c1ccn(cc1)CCCCCC.Br
  • InChi: 1S/C17H30N2.BrH/c1-3-5-7-9-13-18-17-11-15-19(16-12-17)14-10-8-6-4-2;/h11-12,15-16H,3-10,13-14H2,1-2H3;1H
  • InChiKey: OYBQAXYPEYNRMB-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
Loa Loa (eye worm) hypothetical protein 0.0785 0.4921 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0109 0.0428 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0133 0.0584 0.0472
Echinococcus granulosus lysine specific histone demethylase 1A 0.0109 0.0428 0.0819
Echinococcus multilocularis protoporphyrinogen oxidase 0.0109 0.0428 0.0646
Loa Loa (eye worm) hypothetical protein 0.0109 0.0428 0.0793
Echinococcus granulosus carboxylesterase 5A 0.0785 0.4921 1
Brugia malayi hypothetical protein 0.0133 0.0584 0.0348
Loa Loa (eye worm) acetyltransferase 0.0166 0.0805 0.1566
Schistosoma mansoni gliotactin 0.0133 0.0584 0.1114
Echinococcus granulosus lysine specific histone demethylase 1A 0.0109 0.0428 0.0819
Echinococcus multilocularis geminin 0.0194 0.0992 0.1819
Loa Loa (eye worm) hypothetical protein 0.0109 0.0428 0.0793
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0118 0.2266
Echinococcus granulosus geminin 0.0194 0.0992 0.1971
Trypanosoma cruzi UDP-galactopyranose mutase 0.0109 0.0428 0.5
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0133 0.0584 0.1139
Mycobacterium ulcerans monoamine oxidase 0.0109 0.0428 0.0314
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0118 0.0158
Echinococcus multilocularis para nitrobenzyl esterase 0.0133 0.0584 0.0971
Echinococcus granulosus tumor protein p63 0.0348 0.2013 0.4057
Loa Loa (eye worm) carboxylesterase 0.0133 0.0584 0.1114
Brugia malayi Carboxylesterase family protein 0.0785 0.4921 1
Toxoplasma gondii histone lysine-specific demethylase 0.0109 0.0428 1
Echinococcus multilocularis neuroligin 0.0133 0.0584 0.0971
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0109 0.0428 1
Loa Loa (eye worm) carboxylesterase 0.0133 0.0584 0.1114
Loa Loa (eye worm) hypothetical protein 0.0109 0.0428 0.0793
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0785 0.4921 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.0805 0.1431
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.0805 0.1566
Schistosoma mansoni hypothetical protein 0.0194 0.0992 0.1949
Brugia malayi Carboxylesterase family protein 0.0785 0.4921 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0133 0.0584 0.051
Plasmodium vivax hypothetical protein, conserved 0.0109 0.0428 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.0584 0.1114
Schistosoma mansoni acetylcholinesterase 0.0133 0.0584 0.1114
Onchocerca volvulus 0.0133 0.0584 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Trichomonas vaginalis spcc417.12 protein, putative 0.0133 0.0584 1
Echinococcus granulosus acetylcholinesterase 0.0785 0.4921 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0109 0.0428 0.0314
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Echinococcus granulosus BC026374 protein S09 family 0.0133 0.0584 0.1139
Mycobacterium tuberculosis Possible oxidoreductase 0.0109 0.0428 0.0339
Echinococcus multilocularis 0.0109 0.0428 0.0646
Echinococcus granulosus acetylcholinesterase 0.0785 0.4921 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.0584 0.1114
Onchocerca volvulus 0.0109 0.0428 0.7121
Trypanosoma cruzi UDP-galactopyranose mutase 0.0109 0.0428 0.5
Brugia malayi Carboxylesterase family protein 0.0133 0.0584 0.0348
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0109 0.0428 0.0793
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.155 1 1
Echinococcus granulosus neuroligin 0.0133 0.0584 0.1139
Echinococcus multilocularis acetylcholinesterase 0.0785 0.4921 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0428 0.0793
Brugia malayi Carboxylesterase family protein 0.0133 0.0584 0.0348
Brugia malayi Carboxylesterase family protein 0.0133 0.0584 0.0348
Plasmodium falciparum protoporphyrinogen oxidase 0.0109 0.0428 1
Mycobacterium ulcerans dehydrogenase 0.0109 0.0428 0.0314
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0133 0.0584 0.0971
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0109 0.0428 1
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.0805 0.084
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0109 0.0428 0.0646
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.0774 0.1527
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0133 0.0584 0.051
Echinococcus multilocularis acetylcholinesterase 0.0785 0.4921 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Echinococcus multilocularis tumor protein p63 0.0348 0.2013 0.3945
Schistosoma mansoni BC026374 protein (S09 family) 0.0133 0.0584 0.1114
Onchocerca volvulus 0.0133 0.0584 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0109 0.0428 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0428 0.0793
Chlamydia trachomatis protoporphyrinogen oxidase 0.0109 0.0428 0.5
Schistosoma mansoni amine oxidase 0.0109 0.0428 0.0793
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0109 0.0428 0.0793
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Echinococcus multilocularis BC026374 protein (S09 family) 0.0133 0.0584 0.0971
Mycobacterium ulcerans oxidoreductase 0.0109 0.0428 0.0314
Onchocerca volvulus 0.0133 0.0584 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.144 0.9275 1
Loa Loa (eye worm) hypothetical protein 0.0785 0.4921 1
Echinococcus multilocularis carboxylesterase 5A 0.0785 0.4921 1
Onchocerca volvulus 0.0133 0.0584 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.0584 0.1114
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0133 0.0584 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0109 0.0428 0.5
Schistosoma mansoni amine oxidase 0.0109 0.0428 0.0793
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0133 0.0584 0.051
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0109 0.0428 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Schistosoma mansoni neuroligin 3 (S09 family) 0.0133 0.0584 0.1114
Loa Loa (eye worm) carboxylesterase 0.0785 0.4921 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0584 0.1114
Plasmodium vivax hypothetical protein, conserved 0.0109 0.0428 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0109 0.0428 0.0339
Schistosoma mansoni hypothetical protein 0.0194 0.0992 0.1949
Loa Loa (eye worm) hypothetical protein 0.0109 0.0428 0.0793
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0118 0.0186
Echinococcus granulosus para nitrobenzyl esterase 0.0133 0.0584 0.1139
Brugia malayi Carboxylesterase family protein 0.0133 0.0584 0.0348
Loa Loa (eye worm) acetylcholinesterase 1 0.0785 0.4921 1
Leishmania major UDP-galactopyranose mutase 0.0109 0.0428 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0118 0.0158
Onchocerca volvulus 0.0133 0.0584 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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