TDR Targets

Basic information

Technical information

TDR Targets ID: 1543663
Name: 2-bromo-N-[2-[(4-methylpyridin-2-yl)amino]-2- oxoethyl]benzamide
MW: 348.195 | Formula: C15H14BrN3O2
H donors: 2 H acceptors: 3 LogP: 2.42 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nccc(c1)C)CNC(=O)c1ccccc1Br
InChi: 1S/C15H14BrN3O2/c1-10-6-7-17-13(8-10)19-14(20)9-18-15(21)11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,21)(H,17,19,20)
InChiKey: OIAAJFKHQAMPHI-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-bromo-N-[2-[(4-methyl-2-pyridyl)amino]-2-oxo-ethyl]benzamide
2-bromo-N-[2-[(4-methyl-2-pyridyl)amino]-2-oxoethyl]benzamide
2-bromo-N-[2-keto-2-[(4-methyl-2-pyridyl)amino]ethyl]benzamide
2-bromo-N-[2-[(4-methylpyridin-2-yl)amino]-2-oxo-ethyl]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	K(lysine) acetyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium vivax	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	Bromodomain containing protein, related	Get druggable targets OG5_127781	All targets in OG5_127781
Entamoeba histolytica	acetyltransferase, GNAT family	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium berghei	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	acetyltransferase, GNAT family protein	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma japonicum	ko:K06062 p300/CBP-associated factor, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium parvum	GCN5 like acetylase + bromodomain	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	Get druggable targets OG5_127781	All targets in OG5_127781
Theileria parva	histone acetyltransferase Gcn5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	Get druggable targets OG5_127781	All targets in OG5_127781
Babesia bovis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	hypothetical protein	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	Get druggable targets OG5_127781	All targets in OG5_127781
Giardia lamblia	Histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium yoelii	histone acetyltransferase GCN5-related	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium knowlesi	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium hominis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781

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)	MH2 domain-containing protein	0.0051	0.0499	0.0415
Leishmania major	hypothetical protein, conserved	0.0027	0.017	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0734	0.0713
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.0421	0.4511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Echinococcus granulosus	chromobox protein 1	0.0075	0.0827	0.0815
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Echinococcus multilocularis	chromobox protein 1	0.0075	0.0827	0.0815
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0088	0.5178
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0023	0.0115	0.003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Schistosoma mansoni	smad	0.0051	0.0499	0.0454
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.0509	1
Loa Loa (eye worm)	Smad1	0.0051	0.0499	0.0415
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.0509	0.0973
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0051	0.0499	0.0454
Schistosoma mansoni	smad1 5 8 and	0.0051	0.0499	0.0454
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0088	0.0048
Echinococcus granulosus	geminin	0.0683	0.9154	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0734	0.0713
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.1057	0.1069
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.1057	0.1021
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.0734	0.0713
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.0509	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0745	1	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0051	0.0499	0.0454
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.0734	0.0652
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.1057	0.1069
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0509	0.0465
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.1057	0.1069
Loa Loa (eye worm)	RNA binding protein	0.0068	0.0734	0.0652
Schistosoma mansoni	Smad4	0.0051	0.0499	0.0454
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.1057	0.1069
Schistosoma mansoni	chromobox protein	0.0075	0.0827	0.0815
Treponema pallidum	hypothetical protein	0.0282	0.3659	0.5
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.0451	0.0805
Brugia malayi	TAR-binding protein	0.0068	0.0734	0.0696
Onchocerca volvulus		0.0033	0.0254	0.4532
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.1057	0.1069
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0088	0.5178
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0088	0.5178
Loa Loa (eye worm)	nuclear factor I	0.0028	0.0189	0.0102
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.1057	0.1069
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0051	0.0499	0.0454
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.22	0.233
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.017	1
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0282	0.3659	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0088	0.5178
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Brugia malayi	MH2 domain containing protein	0.0051	0.0499	0.0461
Schistosoma mansoni	hypothetical protein	0.0683	0.9154	1
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0282	0.3659	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0745	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0734	0.0713
Schistosoma mansoni	hypothetical protein	0.0683	0.9154	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0075	0.0827	0.0745
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.1057	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0254	0.0167
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.0827	1
Brugia malayi	chromobox protein homolog 3	0.0042	0.0378	0.0339
Echinococcus granulosus	smad	0.0051	0.0499	0.0454
Brugia malayi	hypothetical protein	0.0027	0.017	0.013
Echinococcus multilocularis	smad	0.0051	0.0499	0.0454
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0378	0.3922
Echinococcus multilocularis	geminin	0.0683	0.9154	1
Echinococcus granulosus	chromobox protein 1	0.0075	0.0827	0.0815
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.0734	0.0652
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0051	0.0499	0.0454
Echinococcus multilocularis	Smad4	0.0051	0.0499	0.0454
Loa Loa (eye worm)	MH1 domain-containing protein	0.0023	0.0115	0.0028
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0051	0.0499	0.0454
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0378	0.8578
Brugia malayi	MH1 domain containing protein	0.0028	0.0189	0.0149
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0282	0.3659	1
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.0421	0.4511
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.017	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.22	0.2169
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0189	0.0102
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.1057	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0115	0.0028
Echinococcus multilocularis	chromobox protein 1	0.0075	0.0827	0.0815
Echinococcus granulosus	tar DNA binding protein	0.0068	0.0734	0.0713
Brugia malayi	MH1 domain containing protein	0.0028	0.0189	0.0149
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0088	0.0048
Loa Loa (eye worm)	acetyltransferase	0.0175	0.22	0.2131
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0378	0.3922
Echinococcus granulosus	mothers against decapentaplegic 2	0.0023	0.0115	0.003
Entamoeba histolytica	acetyltransferase, GNAT family	0.0047	0.0451	1
Brugia malayi	Heterochromatin protein 1	0.0075	0.0827	0.079
Brugia malayi	Smad1	0.0051	0.0499	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0378	0.0292
Trypanosoma brucei	unspecified product	0.0021	0.0088	0.5178
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0734	0.0713
Echinococcus granulosus	mothers against decapentaplegic 6	0.0023	0.0115	0.003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0282	0.3659	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0023	0.0115	0.003
Schistosoma mansoni	smad	0.0023	0.0115	0.003
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.021	0.1658
Brugia malayi	mothers against decapentaplegic homolog 3	0.0023	0.0115	0.0075
Giardia lamblia	Histone acetyltransferase GCN5	0.0047	0.0451	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0734	0.0713
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.0509	0.5704
Schistosoma mansoni	smad1 5 8 and	0.0051	0.0499	0.0454
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.0509	0.5704
Brugia malayi	RNA binding protein	0.0068	0.0734	0.0696
Schistosoma mansoni	Smad4	0.0023	0.0115	0.003
Schistosoma mansoni	chromobox protein	0.0075	0.0827	0.0815
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0421	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0051	0.0499	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0027	0.017	0.0083
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0282	0.3659	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.2133	0.2256
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.017	1
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.0827	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0023	0.0115	0.0028
Brugia malayi	MH1 domain containing protein	0.0051	0.0499	0.0461
Brugia malayi	MH2 domain containing protein	0.0023	0.0115	0.0075
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.22	0.233
Brugia malayi	MH1 domain containing protein	0.0051	0.0499	0.0461
Echinococcus granulosus	Smad4	0.0051	0.0499	0.0454
Schistosoma mansoni	smad1 5 8 and	0.0051	0.0499	0.0454
Schistosoma mansoni	Smad4	0.0023	0.0115	0.003
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0088	0.5178
Brugia malayi	MH2 domain containing protein	0.0051	0.0499	0.0461
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.0734	0.0696
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.021	0.1658

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	29.081 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1735418

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 1543663