TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 384.22 | Formula: C15H11BrFNO3S
H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc2c(c1)C(=O)CS(=O)(=O)N2Cc1cccc(c1)F
InChi: 1S/C15H11BrFNO3S/c16-11-4-5-14-13(7-11)15(19)9-22(20,21)18(14)8-10-2-1-3-12(17)6-10/h1-7H,8-9H2
InChiKey: GAJRPNDXZQPFIR-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Saccharomyces cerevisiae	protein transporter TIM23	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Saccharomyces cerevisiae	protein transporter TIM10	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	expressed protein	Get druggable targets OG5_128839	All targets in OG5_128839
Plasmodium berghei	mitochondrial import inner membrane translocase subunit TIM10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Plasmodium berghei	mitochondrial import inner membrane translocase subunit TIM23, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Brugia malayi	hypothetical protein	Get druggable targets OG5_128152	All targets in OG5_128152
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Echinococcus multilocularis	expressed protein	Get druggable targets OG5_128839	All targets in OG5_128839
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_128152	All targets in OG5_128152
Candida albicans	import of proteins into mitochondrial matrix	Get druggable targets OG5_128152	All targets in OG5_128152
Plasmodium yoelii	small zinc finger-like protein-related	Get druggable targets OG5_128839	All targets in OG5_128839
Plasmodium knowlesi	mitochondrial import inner membrane translocase subunit TIM23, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Theileria parva	mitochondrial import inner membrane translocase, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128152	All targets in OG5_128152
Candida albicans	import of proteins into mitochondrial matrix	Get druggable targets OG5_128152	All targets in OG5_128152
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Toxoplasma gondii	TIM10 family protein, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	Get druggable targets OG5_128839	All targets in OG5_128839
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	Get druggable targets OG5_128839	All targets in OG5_128839
Neospora caninum	hypothetical protein	Get druggable targets OG5_128152	All targets in OG5_128152
Candida albicans	protein trans. across mito. Intermembrane space	Get druggable targets OG5_128839	All targets in OG5_128839
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	Get druggable targets OG5_128839	All targets in OG5_128839
Schistosoma japonicum	Mitochondrial import inner membrane translocase subunit Tim23, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Neospora caninum	mitochondrial import inner membrane translocase subunit tim10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Brugia malayi	hypothetical protein	Get druggable targets OG5_128152	All targets in OG5_128152
Theileria parva	mitochondrial import inner membrane translocase subunit tim10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Schistosoma japonicum	Mitochondrial import inner membrane translocase subunit Tim10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Neospora caninum	Tim10/DDP family zinc finger containing protein, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_128152	All targets in OG5_128152
Babesia bovis	mitochondrial transport complex Tim10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	Get druggable targets OG5_128152	All targets in OG5_128152
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	Get druggable targets OG5_128152	All targets in OG5_128152
Babesia bovis	mitochondrial import inner membrane protein, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Plasmodium knowlesi	mitochondrial import inner membrane translocase subunit TIM10, putative	Get druggable targets OG5_128839	All targets in OG5_128839
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	Get druggable targets OG5_128152	All targets in OG5_128152
Candida albicans	protein trans. across mito. Intermembrane space	Get druggable targets OG5_128839	All targets in OG5_128839
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	Get druggable targets OG5_128152	All targets in OG5_128152

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0146	0.1238	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0084	0.0084
Brugia malayi	hypothetical protein	0.0044	0.0313	0.2528
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0058	0.0435	0.0435
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0084	0.0678
Plasmodium vivax	hypothetical protein, conserved	0.0146	0.1238	1
Brugia malayi	hypothetical protein	0.0146	0.1238	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.1108	1	1
Echinococcus multilocularis		0.0146	0.1238	0.1238
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0058	0.0435	0.0899
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.8825	0.8825
Brugia malayi	MH2 domain containing protein	0.0144	0.1223	0.9878
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0285	0.2304
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0146	0.1238	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0146	0.1238	0.1428
Echinococcus multilocularis	expressed protein	0.0058	0.0435	0.0435
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0146	0.1238	0.5
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0146	0.1238	0.1238
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.1108	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0285	0.2304
Echinococcus multilocularis	protoporphyrinogen oxidase	0.1108	1	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0049	0.0356	0.2877
Plasmodium vivax	hypothetical protein, conserved	0.0146	0.1238	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0084	0.0084
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0146	0.1238	1
Toxoplasma gondii	TIM10 family protein, putative	0.0058	0.0435	0.0899
Schistosoma mansoni	hypothetical protein	0.0019	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0356	0.2877
Echinococcus granulosus	protoporphyrinogen oxidase	0.0962	0.8672	1
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0146	0.1238	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1238	1
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0058	0.0435	0.0899
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0058	0.0435	0.3517
Schistosoma mansoni	amine oxidase	0.0146	0.1238	0.1238
Leishmania major	UDP-galactopyranose mutase	0.0146	0.1238	0.5
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1238	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0459	0.3704
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1238	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0084	0.0097
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0058	0.0435	0.0899
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.1108	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1223	0.9878
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0049	0.0356	0.2877
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0146	0.1238	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0459	0.3704
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1238	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1238	1
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0049	0.0356	0.0356
Echinococcus granulosus	GPCR family 2	0.0019	0.0084	0.0097
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1223	0.9878
Schistosoma mansoni	hypothetical protein	0.0019	0.0084	0.0084
Onchocerca volvulus		0.0146	0.1238	0.5
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.0058	0.0435	0.3517
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0678
Echinococcus granulosus	expressed protein	0.0058	0.0435	0.0502
Schistosoma mansoni	amine oxidase	0.0146	0.1238	0.1238
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1238	1
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0084	0.0084
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0146	0.1238	0.1428
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0459	0.3704
Schistosoma mansoni	hypothetical protein	0.0049	0.0356	0.0356
Schistosoma mansoni	hypothetical protein	0.0019	0.0084	0.0084
Schistosoma mansoni	hypothetical protein	0.0041	0.0285	0.0285
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.0962	0.8672	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0146	0.1238	0.1238
Brugia malayi	hypothetical protein	0.0044	0.0313	0.2528
Brugia malayi	amine oxidase, flavin-containing family protein	0.0146	0.1238	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0084	0.0678
Brugia malayi	SWIRM domain containing protein	0.0146	0.1238	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0084	0.0678
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0146	0.1238	1
Toxoplasma gondii	histone lysine-specific demethylase	0.0146	0.1238	1
Schistosoma mansoni	hypothetical protein	0.0019	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.006	0.0459	0.3704
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0084	0.0097
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0049	0.0356	0.2877
Plasmodium falciparum	protoporphyrinogen oxidase	0.0146	0.1238	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 4.69 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1: a luminescent TIM10 yeast counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID493003]	ChEMBL.	No reference
IC50 (functional)	= 5.54 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544]	ChEMBL.	No reference
IC50 (functional)	= 12.6 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1: a luminescent tim23-1 yeast counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID493003]	ChEMBL.	No reference
Potency (functional)	0.2512 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	16.3535 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1702079

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 1495423