TDR Targets

Basic information

Technical information

TDR Targets ID: 736665
Name: (4-bromophenyl)methyl pyridine-3-carboxylate
MW: 292.128 | Formula: C13H10BrNO2
H donors: 0 H acceptors: 2 LogP: 2.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)COC(=O)c1cccnc1
InChi: 1S/C13H10BrNO2/c14-12-5-3-10(4-6-12)9-17-13(16)11-2-1-7-15-8-11/h1-8H,9H2
InChiKey: PJUOLTVDWWRULV-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

3-pyridinecarboxylic acid (4-bromophenyl)methyl ester
nicotinic acid (4-bromobenzyl) ester
BAS 09590955
Nicotinic acid 4-bromo-benzyl ester
ST5029902
MLS001206131
SMR000524588
ZINC00460662
IDI1_033705
TimTec1_008051

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.021	0.0349
Schistosoma mansoni	thyroid hormone receptor	0.001	0.021	0.0339
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.021	0.0339
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.1351	0.2174
Echinococcus granulosus	FTZ F1 alpha	0.001	0.021	0.0349
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.021	0.024
Brugia malayi	steroid hormone receptor	0.001	0.021	0.024
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.021	0.0349
Trichomonas vaginalis	set domain proteins, putative	0.0234	1	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.1661	1
Brugia malayi	RNA binding protein	0.0076	0.3104	0.3545
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.1661	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.2907	0.482
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.021	0.0339
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.021	0.0339
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.021	0.0339
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3104	0.4997
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.021	0.0339
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.021	0.0339
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.021	0.0339
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.021	0.0339
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.021	0.0339
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.1351	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.1351	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.1351	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.021	0.024
Brugia malayi	beta-lactamase family protein	0.0036	0.1351	0.1542
Brugia malayi	TAR-binding protein	0.0076	0.3104	0.3545
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.021	0.024
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.021	0.0339
Brugia malayi	hypothetical protein	0.0072	0.2907	0.3319
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.1661	0.2753
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.3104	0.3545
Loa Loa (eye worm)	beta-lactamase	0.0036	0.1351	0.1542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.021	0.024
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.021	0.024
Schistosoma mansoni	coup transcription factor	0.001	0.021	0.0339
Brugia malayi	Pre-SET motif family protein	0.0206	0.8758	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.1351	0.4888
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.1351	0.4888
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.021	0.0339
Onchocerca volvulus	Huntingtin homolog	0.0124	0.5162	0.5058
Schistosoma mansoni	hypothetical protein	0.0072	0.2907	0.468
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.1661	0.0358
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.021	0.0339
Entamoeba histolytica	hypothetical protein	0.0072	0.2907	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0148	0.6212	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3104	0.4997
Loa Loa (eye worm)	hypothetical protein	0.003	0.1054	0.1204
Brugia malayi	Pre-SET motif family protein	0.003	0.1054	0.1204
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.1054	0.1697
Mycobacterium ulcerans	lipase LipD	0.0036	0.1351	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1351	0.1542
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.021	0.0349
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.021	0.024
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.021	0.0349
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.021	0.0339
Schistosoma mansoni	thyroid hormone receptor	0.001	0.021	0.0339
Entamoeba histolytica	hypothetical protein	0.0072	0.2907	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.021	0.0339
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.021	0.024
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.2907	0.468
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.3104	0.3545
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3104	0.4997
Loa Loa (eye worm)	hypothetical protein	0.0124	0.5162	0.5894
Entamoeba histolytica	hypothetical protein	0.0072	0.2907	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1351	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.021	0.0339
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Loa Loa (eye worm)	hypothetical protein	0.0124	0.5162	0.5894
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1351	0.1542
Mycobacterium ulcerans	hypothetical protein	0.0036	0.1351	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.021	0.024
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0148	0.6212	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.1351	0.1542
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.1054	0.1697
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.1054	0.1697
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.1661	0.0358
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.021	0.024
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.021	0.0349
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.2907	0.468
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.021	0.024
Brugia malayi	ecdysteroid receptor	0.001	0.021	0.024
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.1054	0.1748
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.021	0.024
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1351	0.1542
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.1351	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.021	0.024
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.021	0.0349
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.021	0.024
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.1054	0.1697
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.021	0.024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.021	0.024
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.021	0.0339
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.1007	0.1669
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1351	0.1542
Entamoeba histolytica	hypothetical protein	0.0072	0.2907	1
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.021	0.0339
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.021	0.0339
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.021	0.024
Loa Loa (eye worm)	acetyltransferase	0.0148	0.6212	0.7094
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.021	0.024
Onchocerca volvulus		0.0036	0.1351	0.1165
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.021	0.024
Brugia malayi	beta-lactamase	0.0036	0.1351	0.1542
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.1503	0.5
Onchocerca volvulus		0.003	0.1054	0.0862
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.1351	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Brugia malayi	beta-lactamase family protein	0.0036	0.1351	0.1542
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.1503	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Brugia malayi	nuclear receptor NHR-88	0.001	0.021	0.024
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.8758	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.1351	0.5
Brugia malayi	hypothetical protein	0.0124	0.5162	0.5894
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.021	0.024
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.1054	0.1697
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.021	0.0349
Echinococcus granulosus	tar DNA binding protein	0.0076	0.3104	0.5147
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.021	0.0349
Onchocerca volvulus	Huntingtin homolog	0.0124	0.5162	0.5058
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1351	0.2174
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.1351	0.1542
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.1661	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.6031	1
Leishmania major	hypothetical protein, conserved	0.0036	0.1351	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.3104	0.3545
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3104	0.4997
Mycobacterium ulcerans	beta-lactamase	0.0036	0.1351	0.5
Schistosoma mansoni	nuclear hormone receptor	0.001	0.021	0.0339
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.021	0.024
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.1351	0.2239
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.021	0.024
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.021	0.024
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.1351	0.2174
Onchocerca volvulus		0.0036	0.1351	0.1165
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.3104	0.4997
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.021	0.024
Loa Loa (eye worm)	RNA binding protein	0.0076	0.3104	0.3545
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.1054	0.1697
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.021	0.024
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1351	0.1542
Brugia malayi	acetyltransferase, GNAT family protein	0.0148	0.6212	0.7094
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.3104	0.4997
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.9899	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1351	0.1542
Loa Loa (eye worm)	hypothetical protein	0.001	0.021	0.024
Brugia malayi	nuclear hormone receptor	0.001	0.021	0.024
Onchocerca volvulus		0.0036	0.1351	0.1165

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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)	89.1251 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: CHEMBL1332175
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 736665