TDR Targets

Basic information

Technical information

TDR Targets ID: 1529038
Name: (4-bromophenyl)methyl 2-chloropyridine-3-carb oxylate
MW: 326.573 | Formula: C13H9BrClNO2
H donors: 0 H acceptors: 2 LogP: 3.85 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)COC(=O)c1cccnc1Cl
InChi: 1S/C13H9BrClNO2/c14-10-5-3-9(4-6-10)8-18-13(17)11-2-1-7-16-12(11)15/h1-7H,8H2
InChiKey: QWCKPFRQTLFOGV-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-chloro-3-pyridinecarboxylic acid (4-bromophenyl)methyl ester
2-chloronicotinic acid (4-bromobenzyl) ester
T0517-2866
ZINC03530520

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma mansoni	tar DNA-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
Echinococcus multilocularis	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 japonicum	TAR DNA-binding protein 43, putative	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
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	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
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing 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
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 japonicum	TAR DNA-binding protein 43, putative	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	hexokinase	0.1863	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0057	0.0057
Trypanosoma cruzi	hexokinase, putative	0.1863	1	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0221	0.0221
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0592	0.3045	0.3045
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0234	0.1086	0.1086
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1368	1
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.0057	0.0057
Schistosoma mansoni	60S ribosomal protein L21	0.0037	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0592	0.3045	0.3045
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0221	0.0221
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0046	0.0057	0.0057
Brugia malayi	Hexokinase family protein	0.0577	0.2958	0.2958
Brugia malayi	Hexokinase family protein	0.1169	0.62	0.62
Leishmania major	hexokinase, putative	0.1863	1	0.5
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0046	0.0057	0.0057
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0221	0.0221
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0068	0.0174	0.0174
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0221	0.0221
Entamoeba histolytica	hexokinase 1	0.1863	1	0.5
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0046	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.1271	0.6758	0.6758
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0219	0.1001	0.7203
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1178	0.1178
Loa Loa (eye worm)	hexokinase	0.1863	1	1
Echinococcus multilocularis	hexokinase	0.1863	1	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0046	0.0057	0.0057
Loa Loa (eye worm)	hexokinase	0.1169	0.62	0.62
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0046	0.0057	0.0057
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0046	0.0057	0.0057
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0046	0.0057	0.0057
Echinococcus multilocularis	voltage gated potassium channel	0.0068	0.0174	0.0174
Echinococcus granulosus	voltage gated potassium channel	0.0068	0.0174	0.0174
Brugia malayi	Pre-SET motif family protein	0.0251	0.1178	0.1178
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.0005	0.0005
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0221	0.0221
Onchocerca volvulus		0.1863	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0256	0.1204	0.1204
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0221	0.0221
Loa Loa (eye worm)	hexokinase	0.0577	0.2958	0.2958
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0221	0.0221
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0046	0.0057	0.0057
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0068	0.0174	0.0174
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0068	0.0174	0.0174
Onchocerca volvulus		0.1863	1	1
Echinococcus multilocularis	hexokinase	0.1863	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0068	0.0174	0.0174
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0046	0.0057	0.0057
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0046	0.0057	0.0057
Trypanosoma brucei	hexokinase	0.1863	1	0.5
Onchocerca volvulus		0.0286	0.1368	0.1368
Treponema pallidum	hexokinase (hxk)	0.1863	1	0.5
Echinococcus multilocularis	hexokinase type 2	0.1863	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0221	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0916	0.0916
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0046	0.0057	0.0057
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0221	0.0221
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0046	0.0057	0.0057
Plasmodium falciparum	hexokinase	0.1863	1	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0234	0.1086	0.1086
Echinococcus multilocularis	hexokinase	0.1863	1	1
Onchocerca volvulus		0.1169	0.62	0.62
Schistosoma mansoni	voltage-gated potassium channel	0.0256	0.1204	0.1204
Toxoplasma gondii	hexokinase	0.1863	1	1
Brugia malayi	hexokinase type II	0.0592	0.3045	0.3045
Trypanosoma brucei	hexokinase, putative	0.1863	1	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0046	0.0057	0.0057
Loa Loa (eye worm)	hexokinase type II	0.1863	1	1
Brugia malayi	Hexokinase family protein	0.1863	1	1
Loa Loa (eye worm)	hexokinase	0.1863	1	1
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0046	0.0057	0.0057
Onchocerca volvulus	Hexokinase homolog	0.1169	0.62	0.62
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0046	0.0057	0.0057
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0046	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0174	0.0174
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0234	0.1086	0.1086
Echinococcus granulosus	hexokinase	0.1863	1	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0221	0.0221
Plasmodium vivax	hexokinase, putative	0.1863	1	1
Echinococcus granulosus	hexokinase	0.1863	1	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0046	0.0057	0.0057
Schistosoma mansoni	voltage-gated potassium channel	0.0068	0.0174	0.0174
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0234	0.1086	0.1086
Echinococcus granulosus	hexokinase type 2	0.1863	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0046	0.0057	0.0057
Brugia malayi	TAR-binding protein	0.0076	0.0221	0.0221
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0219	0.1001	0.7203
Trypanosoma brucei	hexokinase	0.1863	1	0.5
Trypanosoma cruzi	hexokinase, putative	0.1863	1	0.5
Brugia malayi	RNA binding protein	0.0076	0.0221	0.0221
Schistosoma mansoni	hexokinase	0.1863	1	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0046	0.0057	0.0057
Leishmania major	hexokinase, putative	0.1863	1	0.5
Entamoeba histolytica	hexokinase 2	0.1863	1	0.5
Onchocerca volvulus		0.1863	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	14.7157 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)	23.9341 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)	50.1187 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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)	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

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: CHEMBL1707074

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 1529038