TDR Targets

Basic information

Technical information

TDR Targets ID: 1808781
Name: 2-(4-bromophenyl)-1-sulfanylidene-5,6,7,8-tet rahydro-[1,2,4]triazolo[1,2-a]pyridazin-3-one
MW: 326.212 | Formula: C12H12BrN3OS
H donors: 0 H acceptors: 1 LogP: 2.83 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)n1c(=O)n2n(c1=S)CCCC2
InChi: 1S/C12H12BrN3OS/c13-9-3-5-10(6-4-9)16-11(17)14-7-1-2-8-15(14)12(16)18/h3-6H,1-2,7-8H2
InChiKey: JJFWXELSEBZXEF-UHFFFAOYSA-N

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

2-(4-bromophenyl)-1-thioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-3-one
58744-73-3
1H-(1,2,4)Triazolo(1,2-a)pyridazin-1-one, 2-(4-bromophenyl)hexahydro-3-thioxo-
4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidin-3-one-5-thione
C10975
Triazolidinonethione

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Zea mays	Protoporphyrinogen IX oxidase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus granulosus	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Mycobacterium ulcerans	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Echinococcus multilocularis	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Candida albicans	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Chlamydia trachomatis	protoporphyrinogen oxidase	Get druggable targets OG5_129066	All targets in OG5_129066
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	Get druggable targets OG5_129066	All targets in OG5_129066
Schistosoma japonicum	ko:K00231 protoporphyrinogen oxidase [EC1.3.3.4B], putative	Get druggable targets OG5_129066	All targets in OG5_129066
Candida albicans	protoporphyrinogen oxidase, heme biosynthesis	Get druggable targets OG5_129066	All targets in OG5_129066

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
Schistosoma mansoni	lamin	0.0062	0.2337	0.2337
Echinococcus granulosus	lamin	0.0062	0.2337	0.2744
Mycobacterium ulcerans	oxidoreductase	0.0025	0.0202	0.0202
Entamoeba histolytica	hypothetical protein	0.0042	0.1171	1
Echinococcus multilocularis	lamin dm0	0.0062	0.2337	0.2337
Mycobacterium tuberculosis	Possible oxidoreductase	0.0025	0.0202	0.0237
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0192	1	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0192	1	1
Onchocerca volvulus		0.0062	0.2337	1
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0025	0.0202	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0202	0.0237
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.1171	0.1376
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0202	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0025	0.0202	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0025	0.0202	0.0202
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0	0.5
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.003	0.0464	0.0464
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.1171	0.1171
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0192	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0464	0.1985
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0025	0.0202	0.0202
Echinococcus granulosus	protoporphyrinogen oxidase	0.0167	0.8515	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.003	0.0464	0.0545
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0025	0.0202	1
Entamoeba histolytica	hypothetical protein	0.0042	0.1171	1
Schistosoma mansoni	intermediate filament proteins	0.0062	0.2337	0.2337
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0	0.5
Echinococcus multilocularis	musashi	0.0062	0.2337	0.2337
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0025	0.0202	0.0237
Echinococcus granulosus	intermediate filament protein	0.0062	0.2337	0.2744
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0025	0.0202	0.0237
Mycobacterium ulcerans	monoamine oxidase	0.0025	0.0202	0.0202
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0	0.5
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0033	0.0656	0.2808
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0025	0.0202	0.0202
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0025	0.0202	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0025	0.0202	1
Schistosoma mansoni	lamin	0.0062	0.2337	0.2337
Schistosoma mansoni	hypothetical protein	0.0042	0.1171	0.1171
Loa Loa (eye worm)	hypothetical protein	0.0062	0.2337	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0202	0.0863
Toxoplasma gondii	histone lysine-specific demethylase	0.0025	0.0202	1
Echinococcus granulosus	lamin dm0	0.0062	0.2337	0.2744
Schistosoma mansoni	amine oxidase	0.0025	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0202	0.0863
Brugia malayi	amine oxidase, flavin-containing family protein	0.0025	0.0202	0.0863
Leishmania major	UDP-galactopyranose mutase	0.0025	0.0202	1
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0202	1
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.0167	0.8515	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0398	0.1702
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0192	1	0.5
Brugia malayi	SWIRM domain containing protein	0.0025	0.0202	0.0863
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0	0.5
Brugia malayi	intermediate filament protein	0.0062	0.2337	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0202	0.0863
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.1171	0.1171
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0062	0.2337	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0025	0.0202	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0202	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0398	0.1702
Schistosoma mansoni	amine oxidase	0.0025	0.0202	0.0202
Echinococcus multilocularis	lamin	0.0062	0.2337	0.2337
Echinococcus multilocularis		0.0025	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0202	0.0863
Loa Loa (eye worm)	intermediate filament protein	0.0062	0.2337	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.227	0.9717
Mycobacterium ulcerans	dehydrogenase	0.0025	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0202	0.0863
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0025	0.0202	0.0202
Brugia malayi	hypothetical protein	0.0025	0.0202	0.0863
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0	0.5
Entamoeba histolytica	hypothetical protein	0.0042	0.1171	1
Onchocerca volvulus		0.0062	0.2337	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0025	0.0202	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0033	0.0656	0.2808
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0202	1
Brugia malayi	hypothetical protein	0.0042	0.1171	0.5013
Entamoeba histolytica	hypothetical protein	0.0042	0.1171	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0062	0.2337	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.89	Inhibition of Zea mays cv. Anjou (maize) plastid Protoporphyrinogen IX oxidase assessed as inhibition of protoporphyrin IX by fluorescence spectrophotometry	ChEMBL.	No reference

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: CHEMBL2288785

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1808781