TDR Targets

Basic information

Technical information

TDR Targets ID: 1184843
Name: 5-bromo-2-methyl-9H-pyrido[3,4-b]indol-2-ium- 6-ol
MW: 278.125 | Formula: C12H10BrN2O+
H donors: 2 H acceptors: 1 LogP: 2.78 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: C[n+]1ccc2c(c1)[nH]c1c2c(Br)c(cc1)O
InChi: 1S/C12H9BrN2O/c1-15-5-4-7-9(6-15)14-8-2-3-10(16)12(13)11(7)8/h2-6,16H,1H3/p+1
InChiKey: UWBLOZFYNVSKIM-UHFFFAOYSA-O

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

5-bromo-2-methyl-9H-$b-carbolin-2-ium-6-ol

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1591	0.2518
Loa Loa (eye worm)	hypothetical protein	0.004	0.0944	0.1495
Mycobacterium tuberculosis	Conserved protein	0.004	0.0944	0.0943
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0944	0.0943
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0854	0.1353
Loa Loa (eye worm)	hypothetical protein	0.004	0.0944	0.1495
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0944	0.0943
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.2098	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.2098	1
Loa Loa (eye worm)	hypothetical protein	0.0167	0.6317	1
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0944	1
Brugia malayi	hypothetical protein	0.0167	0.6317	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.4836	0.7656
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.044	0.4656
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0944	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0944	0.4501
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0944	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0944	0.1495
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.2098	1
Trichomonas vaginalis	esterase, putative	0.004	0.0944	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.044	0.4656
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0854	0.1353
Onchocerca volvulus		0.0167	0.6317	1
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0944	0.0943
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0944	0.0943
Loa Loa (eye worm)	hypothetical protein	0.004	0.0944	0.1495
Mycobacterium tuberculosis	Conserved protein	0.004	0.0944	0.0943
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0944	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.2098	1
Brugia malayi	beta-lactamase family protein	0.004	0.0944	0.1495
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.2098	1
Leishmania major	hypothetical protein, conserved	0.004	0.0944	0.4498
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0006
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0006
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0944	0.4501
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1591	0.2518
Brugia malayi	beta-lactamase family protein	0.004	0.0944	0.1495
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1591	0.2518
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.044	0.4656
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.044	0.4656
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0944	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.2098	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.044	1
Toxoplasma gondii	ABC1 family protein	0.004	0.0944	0.4498
Brugia malayi	hypothetical protein	0.0028	0.044	0.0697
Brugia malayi	beta-lactamase	0.004	0.0944	0.1495
Loa Loa (eye worm)	hypothetical protein	0.004	0.0944	0.1495
Loa Loa (eye worm)	hypothetical protein	0.0028	0.044	0.0697
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.2098	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0944	0.1495
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0944	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0001	0.0002
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.044	0.2094
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0944	0.4501
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.044	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0001	0.0006
Loa Loa (eye worm)	hypothetical protein	0.004	0.0944	0.1495
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.2098	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0006
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0001	0.0006
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0001	0.0002
Mycobacterium leprae	Probable lipase LipE	0.004	0.0944	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.4836	0.7656
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1591	0.2518
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0944	0.0943
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.2098	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0001	0.0006
Loa Loa (eye worm)	hypothetical protein	0.004	0.0944	0.1495
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0944	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0944	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0854	0.4073
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0944	0.0943
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0944	1
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0944	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.2098	0.2097
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0944	0.0943
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0001	0.0006
Loa Loa (eye worm)	beta-lactamase	0.004	0.0944	0.1495
Leishmania major	hypothetical protein, conserved	0.0028	0.044	0.2094
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0001	0.0002
Brugia malayi	MH2 domain containing protein	0.0132	0.4836	0.7656
Brugia malayi	hypothetical protein	0.0018	0.0023	0.0037
Mycobacterium tuberculosis	Conserved protein	0.004	0.0944	0.0943
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0944	0.4501

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

ChEMBL: CHEMBL484862

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1184843