TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 214.283 | Formula: C8H7FN2S2
H donors: 0 H acceptors: 1 LogP: 2.24 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(s1)Cn1ccnc1S
InChi: 1S/C8H7FN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
InChiKey: VWZUKRWMFMTTRH-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
Bos taurus	Dopamine beta-hydroxylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K00503 dopamine beta-monooxygenase [EC1.14.17.1], putative	Get druggable targets OG5_129281	All targets in OG5_129281
Schistosoma mansoni	dopamine-beta-monooxygenase	Get druggable targets OG5_129281	All targets in OG5_129281

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
Onchocerca volvulus	Alhambra homolog	0.003	0.0399	0.0087
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0517	1
Loa Loa (eye worm)	runx1	0.0061	0.1039	0.1037
Onchocerca volvulus		0.0029	0.0359	0.0045
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0517	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0517	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.072	0.0781
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.072	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0012
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0517	0.0777
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0283	0.5738	0.6184
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2915	0.2913
Brugia malayi	beta-lactamase family protein	0.0036	0.0517	0.0514
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.072	0.0718
Schistosoma mansoni	ap endonuclease	0.002	0.017	0.0074
Loa Loa (eye worm)	hypothetical protein	0.003	0.0399	0.0397
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0517	0.0777
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0315	0.0233
Brugia malayi	DOMON domain containing protein	0.0029	0.0359	0.0356
Brugia malayi	beta-lactamase	0.0036	0.0517	0.0514
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0517	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0857	0.0855
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0517	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0103	0.01
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0399	0.0397
Plasmodium falciparum	phd finger protein, putative	0.003	0.0399	1
Onchocerca volvulus		0.0031	0.0418	0.0106
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0517	0.0777
Mycobacterium ulcerans	lipase LipD	0.0036	0.0517	1
Schistosoma mansoni	hypothetical protein	0.003	0.0399	0.0325
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0517	0.0777
Echinococcus granulosus	GPCR family 2	0.0016	0.0103	0.0112
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0517	0.0777
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0857	0.0855
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0315	0.0313
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.017	0.0168
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.072	0.0781
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0517	0.0561
Brugia malayi	PHD-finger family protein	0.003	0.0399	0.0397
Schistosoma mansoni	hypothetical protein	0.0177	0.3504	0.3733
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0076	0.1358	0.1356
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.017	0.0185
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0055	0.0052
Brugia malayi	beta-lactamase family protein	0.0036	0.0517	0.0514
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0652	0.0707
Echinococcus granulosus	peregrin	0.003	0.0399	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0517	0.0514
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.017	0.0168
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0517	0.0514
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.4627	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0517	0.0454
Schistosoma mansoni	ap endonuclease	0.002	0.017	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0517	0.0514
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0025	0.0027
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0573	0.057
Schistosoma mansoni	hypothetical protein	0.0036	0.0508	0.0445
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.1086	0.1084
Schistosoma mansoni	cpg binding protein	0.0033	0.0456	0.0387
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0517	1
Echinococcus multilocularis	geminin	0.0177	0.3504	0.3803
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0517	0.0454
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.01	0.1867	0.2026
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0517	0.0514
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0652	0.0707
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0103	0.0112
Brugia malayi	F/Y-rich N-terminus family protein	0.002	0.0168	0.0165
Brugia malayi	DOMON domain containing protein	0.0029	0.0359	0.0356
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0103	0.0112
Toxoplasma gondii	ABC1 family protein	0.0036	0.0517	0.4113
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0399	0.7703
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0018	0.013	0.0029
Schistosoma mansoni	cpg binding protein	0.0033	0.0456	0.0387
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0517	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0052	0.086	0.0858
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0399	0.0433
Brugia malayi	DOMON domain containing protein	0.0029	0.0359	0.0356
Schistosoma mansoni	lamin	0.0027	0.0315	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0508	0.0506
Onchocerca volvulus		0.0029	0.0359	0.0045
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.01	0.1867	0.2026
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.072	0.0781
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0517	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0103	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0025	0.0022
Entamoeba histolytica	hypothetical protein	0.0035	0.0503	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0503	0.0439
Loa Loa (eye worm)	DOMON domain-containing protein	0.0029	0.0359	0.0356
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0399	0.0433
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.4677	0.5075
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0517	0.0777
Schistosoma mansoni	hypothetical protein	0.0177	0.3504	0.3733
Schistosoma mansoni	cpg binding protein	0.0031	0.0418	0.0346
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.017	0.4185
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0103	0.01
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0517	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0857	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0315	0.0313
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0517	1
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0517	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0012
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0103	0.01
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.017	0.0185
Entamoeba histolytica	hypothetical protein	0.0035	0.0503	1
Echinococcus multilocularis	cpg binding protein	0.0033	0.0456	0.0495
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0103	0.0112
Brugia malayi	jmjC domain containing protein	0.01	0.1867	0.1865
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.072	0.0781
Echinococcus multilocularis	lamin	0.0027	0.0315	0.0342
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0315	0.0313
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0055	0.0052
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0517	1
Brugia malayi	hypothetical protein	0.0233	0.4677	0.4676
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.1433	0.1459
Brugia malayi	Bromodomain containing protein	0.003	0.0399	0.0397
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0149	0.2915	0.3085
Schistosoma mansoni	lamin	0.0027	0.0315	0.0233
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0517	0.0514
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0315	0.0313
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0149	0.2915	0.3163
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.072	0.0677
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0517	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0399	0.2719
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1163	0.1163
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.017	0.5
Trichomonas vaginalis	esterase, putative	0.0036	0.0517	1
Echinococcus multilocularis	lamin dm0	0.0027	0.0315	0.0342
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0573	0.0516
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0758	0.0756
Onchocerca volvulus		0.0484	1	1
Schistosoma mansoni	lozenge	0.0061	0.1039	0.1027
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0517	0.0514
Schistosoma mansoni	peptidylglycine monooxygenase	0.0149	0.2915	0.3085
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0517	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.1012	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0758	0.0719
Echinococcus granulosus	dnaJ subfamily B	0.0447	0.9216	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0517	0.0514
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0517	0.0561
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0103	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0233	0.4677	0.4676
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0517	0.5
Brugia malayi	hypothetical protein	0.0035	0.0503	0.05
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0399	0.2719
Echinococcus granulosus	geminin	0.0177	0.3504	0.3803
Brugia malayi	intermediate filament protein	0.0027	0.0315	0.0313
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0535	0.058
Echinococcus multilocularis	musashi	0.0027	0.0315	0.0342
Echinococcus multilocularis	dnaJ subfamily B	0.0447	0.9216	1
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.4677	0.5075
Loa Loa (eye worm)	hypothetical protein	0.0484	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0503	0.0546
Loa Loa (eye worm)	DOMON domain-containing protein	0.0029	0.0359	0.0356
Entamoeba histolytica	hypothetical protein	0.0035	0.0503	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0508	0.0506
Echinococcus multilocularis	Protein lozenge	0.0061	0.1039	0.1128
Entamoeba histolytica	hypothetical protein	0.0035	0.0503	1
Echinococcus granulosus	lamin	0.0027	0.0315	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0517	0.0514
Onchocerca volvulus		0.0036	0.0517	0.0208
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0418	0.0416
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0758	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0517	0.0514
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0025	0.0027
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0103	0.01
Leishmania major	hypothetical protein, conserved	0.0036	0.0517	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0503	0.0546
Onchocerca volvulus		0.0036	0.0517	0.0208
Schistosoma mansoni	hypothetical protein	0.0035	0.0503	0.0439
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.017	0.3224
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0074	0.1311	0.1308
Echinococcus granulosus	intermediate filament protein	0.0027	0.0315	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0484	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0573	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2915	0.2913
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0149	0.2915	0.2913
Onchocerca volvulus		0.0047	0.0758	0.0457
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0399	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0857	0.0855
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0517	0.0777
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0517	0.0777
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.072	0.0677
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0305	0.0302
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0149	0.2915	0.2913
Loa Loa (eye worm)	DOMON domain-containing protein	0.0029	0.0359	0.0356
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.072	0.0677
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0517	1
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0149	0.2915	0.3163
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0517	0.0777
Echinococcus granulosus	cpg binding protein	0.0033	0.0456	0.0495
Brugia malayi	jmjC domain containing protein	0.0039	0.0573	0.057
Onchocerca volvulus		0.0036	0.0517	0.0208
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0573	0.0622
Schistosoma mansoni	hypothetical protein	0.0447	0.9216	1
Echinococcus multilocularis	peregrin	0.003	0.0399	0.0433
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0418	0.0416
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.017	0.5
Giardia lamblia	PHD finger protein 15	0.003	0.0399	1
Echinococcus granulosus	lamin dm0	0.0027	0.0315	0.0342

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4600 nM	Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)	ChEMBL.	2362264
IC50 (binding)	= 4600 nM	Inhibitory activity against bovine adrenal dopamine beta-hydroxylase(DBH)	ChEMBL.	2362264

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 82027