TDR Targets

Basic information

Technical information

TDR Targets ID: 1127483
Name: 2-amino-1-(4-bromophenyl)ethanone
MW: 214.059 | Formula: C8H8BrNO
H donors: 1 H acceptors: 1 LogP: 1.39 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NCC(=O)c1ccc(cc1)Br
InChi: 1S/C8H8BrNO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5,10H2
InChiKey: ZQFATRVLQKIVTH-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

Maybridge1_001114

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
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0311	0.5909	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.1311	0.1311
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1859	0.1859
Schistosoma mansoni	hypothetical protein	0.0033	0.0049	0.0074
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0152	0.2556	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0095	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0095	0.0723
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0095	0.0095
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.1311	0.1269
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.131	0.1268
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0095	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	0.4278	0.4278
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0095	0.0095
Echinococcus multilocularis	equilibrative nucleoside transporter protein	0.0176	0.3073	0.3039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.131	0.1996
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.131	0.1996
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.131	0.131
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0095	0.0161
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0095	0.0723
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Schistosoma mansoni	hypothetical protein	0.0033	0.0049	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0095	0.0095
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0095	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0855	0.0855
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.131	0.1996
Schistosoma mansoni	hypothetical protein	0.0033	0.0049	0.0074
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0095	0.0161
Brugia malayi	hypothetical protein	0.0176	0.3073	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3073	0.3073
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.131	0.1268
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0049	0.0049
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0152	0.2556	1
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0323	0.0547
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0093	0.0044
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0095	0.0161
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0095	0.0723
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0095	0.0161
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0157
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0176	0.3073	0.3039
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.1311	0.1998
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0176	0.3073	0.5201
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0311	0.5909	1
Loa Loa (eye worm)	hypothetical protein	0.0505	1	1
Giardia lamblia	Hypothetical protein	0.0176	0.3073	0.3832
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0093	0.0044
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0157
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0049	0.0049
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.1549	0.1549
Trypanosoma brucei	polo-like protein kinase	0.0093	0.1311	1
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0323	0.0547
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0176	0.3073	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0095	0.0161
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.1311	1
Echinococcus multilocularis	geminin	0.0342	0.6565	0.6549
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0176	0.3073	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0095	0.0095
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.1549	0.1549
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1549	0.1549
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0152	0.2556	0.6167
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0095	0.0723
Brugia malayi	beta-lactamase	0.0035	0.0095	0.0095
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0157
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0095	0.0144
Echinococcus granulosus	equilibrative nucleoside transporter	0.0176	0.3073	0.3039
Echinococcus granulosus	survival motor neuron protein 1	0.0505	1	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0176	0.3073	0.5201
Treponema pallidum	fructose-bisphosphate aldolase	0.0311	0.5909	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0095	0.0095
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.1549	0.1549
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Schistosoma mansoni	hypothetical protein	0.0033	0.0049	0.0074
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0049	0.0049
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.1311	0.222
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.131	0.1268
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3073	0.3073
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0095	0.0095
Schistosoma mansoni	kinase	0.0047	0.0349	0.0531
Brugia malayi	follicle stimulating hormone receptor	0.0234	0.4278	0.4278
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.1311	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0095	0.0046
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0855	0.0855
Onchocerca volvulus		0.0103	0.1526	0.4804
Schistosoma mansoni	protein kinase	0.0031	0.0006	0.001
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Schistosoma mansoni	hypothetical protein	0.0071	0.0855	0.1302
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0093	0.0141
Echinococcus multilocularis	survival motor neuron protein 1	0.0505	1	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0095	0.0095
Schistosoma mansoni	hypothetical protein	0.0342	0.6565	1
Schistosoma mansoni	hypothetical protein	0.0103	0.1526	0.2324
Echinococcus granulosus	equilibrative nucleoside transporter 3	0.0176	0.3073	0.3039
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.4086	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.1311	0.1311
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0095	0.0095
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0103	0.1526	0.1526
Brugia malayi	Nucleoside transporter family protein	0.0176	0.3073	0.3073
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0093	0.0157
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0095	0.0095
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0095	0.0161
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0049	0.0049
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1859	0.1859
Echinococcus granulosus	geminin	0.0342	0.6565	0.6549
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.131	0.1268
Entamoeba histolytica	nucleoside transporter, putative	0.0176	0.3073	0.5201
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.1311	0.1269
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0176	0.3073	0.5201
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0176	0.3073	0.5201
Schistosoma mansoni	hypothetical protein	0.0342	0.6565	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Brugia malayi	MH2 domain containing protein	0.0119	0.1859	0.1859
Schistosoma mansoni	survival motor neuron protein	0.0103	0.1526	0.2324
Brugia malayi	hypothetical protein	0.0035	0.0093	0.0093
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	0.5909	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Schistosoma mansoni	hypothetical protein	0.0035	0.0093	0.0141
Giardia lamblia	Fructose-bisphosphate aldolase	0.0311	0.5909	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.1311	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3073	0.3073
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0095	0.0144
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.1311	0.4085
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0095	0.0095
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.1311	0.222
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0146	0.2427	0.239
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.131	0.131

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	35.4813 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	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: CHEMBL1851811

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1127483