TDR Targets

Basic information

Technical information

TDR Targets ID: 1292152
Name: [2-(4-chlorophenyl)-2-oxoethyl] 2-(furan-2-ca rbonylamino)acetate
MW: 321.712 | Formula: C15H12ClNO5
H donors: 1 H acceptors: 3 LogP: 2.56 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc(cc1)Cl
InChi: 1S/C15H12ClNO5/c16-11-5-3-10(4-6-11)12(18)9-22-14(19)8-17-15(20)13-2-1-7-21-13/h1-7H,8-9H2,(H,17,20)
InChiKey: UPAJPKOSLCTMBG-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-(4-chlorophenyl)-2-oxo-ethyl] 2-(furan-2-carbonylamino)acetate
2-[(2-furyl-oxomethyl)amino]acetic acid [2-(4-chlorophenyl)-2-oxoethyl] ester
2-(furan-2-carbonylamino)acetic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester
[2-(4-chlorophenyl)-2-oxo-ethyl] 2-(furan-2-ylcarbonylamino)ethanoate
BAS 09607059
[(Furan-2-carbonyl)-amino]-acetic acid 2-(4-chloro-phenyl)-2-oxo-ethyl ester
MLS000765411
SMR000289516
ST062733
ZINC04510590

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	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
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
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
Echinococcus granulosus	tar DNA binding 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 recognition domain-containing protein domain-containing 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
Schistosoma mansoni	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein	0.0036	0.0089	0.5
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0201	0.1295	0.5
Brugia malayi	MH1 domain containing protein	0.0042	0.0137	0.0137
Loa Loa (eye worm)	TAR-binding protein	0.0193	0.1232	0.1232
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0162	0.0162
Brugia malayi	MH1 domain containing protein	0.0042	0.0137	0.0137
Echinococcus multilocularis	GPCR, family 2	0.0443	0.3048	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0147	0.0899	1
Echinococcus granulosus	mothers against decapentaplegic 5	0.0042	0.0137	0.0163
Entamoeba histolytica	hypothetical protein	0.0036	0.0089	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0147	0.0899	1
Brugia malayi	RNA binding protein	0.0193	0.1232	0.1232
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0162	0.0248
Schistosoma mansoni	Smad4	0.0042	0.0137	0.0072
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.1232	0.1708
Schistosoma mansoni	hypothetical protein	0.0956	0.6782	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0042	0.0137	0.0163
Brugia malayi	MH2 domain containing protein	0.0042	0.0137	0.0137
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0443	0.3048	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0147	0.0899	0.2738
Toxoplasma gondii	isocitrate dehydrogenase	0.0147	0.0899	1
Echinococcus granulosus	tar DNA binding protein	0.0193	0.1232	0.3864
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0137	0.0072
Echinococcus multilocularis	smad	0.0042	0.0137	0.0163
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0162	0.0162
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0058	0.025	0.0544
Brugia malayi	hypothetical protein	0.0129	0.0766	0.0766
Loa Loa (eye worm)	RNA binding protein	0.0193	0.1232	0.1232
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0042	0.0137	0.0163
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0137	0.0072
Brugia malayi	MH2 domain containing protein	0.0042	0.0137	0.0137
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.1232	0.1708
Echinococcus granulosus	geminin	0.0205	0.1318	0.4154
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0147	0.0899	1
Schistosoma mansoni	hypothetical protein	0.0443	0.3048	0.4421
Brugia malayi	MH2 domain containing protein	0.0619	0.433	0.433
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.1232	0.1708
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.1232	0.1708
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0042	0.0137	0.0163
Loa Loa (eye worm)	Smad1	0.0042	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0443	0.3048	0.3048
Schistosoma mansoni	hypothetical protein	0.0205	0.1318	0.1836
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0147	0.0899	0.2738
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0147	0.0899	0.1211
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0147	0.0899	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0058	0.025	0.0544
Loa Loa (eye worm)	MH2 domain-containing protein	0.0619	0.433	0.433
Echinococcus multilocularis	tar DNA binding protein	0.0193	0.1232	0.3864
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0443	0.3048	1
Brugia malayi	TAR-binding protein	0.0193	0.1232	0.1232
Schistosoma mansoni	hypothetical protein	0.0443	0.3048	0.4421
Loa Loa (eye worm)	hypothetical protein	0.0201	0.1295	0.1295
Brugia malayi	glutaminase DH11.1	0.027	0.1796	0.1796
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0162	0.011
Mycobacterium ulcerans	glutaminase	0.027	0.1796	0.5
Brugia malayi	isocitrate dehydrogenase	0.0147	0.0899	0.0899
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0147	0.0899	0.2738
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0147	0.0899	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0162	0.011
Schistosoma mansoni	smad	0.0042	0.0137	0.0072
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0193	0.1232	0.1232
Echinococcus multilocularis	geminin	0.0205	0.1318	0.4154
Schistosoma mansoni	glutaminase	0.027	0.1796	0.255
Echinococcus multilocularis	Smad4	0.0042	0.0137	0.0163
Brugia malayi	RNA recognition motif domain containing protein	0.0193	0.1232	0.1232
Entamoeba histolytica	hypothetical protein	0.0036	0.0089	0.5
Schistosoma mansoni	hypothetical protein	0.0443	0.3048	0.4421
Schistosoma mansoni	hypothetical protein	0.0443	0.3048	0.4421
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.1232	0.1708
Brugia malayi	Isocitrate dehydrogenase	0.0147	0.0899	0.0899
Brugia malayi	hypothetical protein	0.0036	0.0089	0.0089
Loa Loa (eye worm)	MH2 domain-containing protein	0.0042	0.0137	0.0137
Schistosoma mansoni	hypothetical protein	0.0058	0.025	0.0241
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0147	0.0899	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0766	0.0766
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0162	0.0248
Brugia malayi	hypothetical protein	0.0083	0.0434	0.0434
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0443	0.3048	0.3048
Loa Loa (eye worm)	hypothetical protein	0.0956	0.6782	0.6782
Loa Loa (eye worm)	glutaminase 2	0.027	0.1796	0.1796
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0147	0.0899	0.5
Loa Loa (eye worm)	glutaminase	0.027	0.1796	0.1796
Trichomonas vaginalis	glutaminase, putative	0.027	0.1796	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0089	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0162	0.0248
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0443	0.3048	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1318	0.1836
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0443	0.3048	0.3048
Echinococcus granulosus	GPCR family 2	0.0443	0.3048	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0956	0.6782	0.6782
Toxoplasma gondii	isocitrate dehydrogenase	0.0147	0.0899	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0619	0.433	0.433
Echinococcus granulosus	Smad4	0.0042	0.0137	0.0163
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0162	0.0248
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0147	0.0899	0.2738
Brugia malayi	Smad1	0.0042	0.0137	0.0137
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0147	0.0899	0.0899
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0147	0.0899	0.2738
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0147	0.0899	0.2738
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0042	0.0137	0.0072
Loa Loa (eye worm)	MH1 domain-containing protein	0.0042	0.0137	0.0137
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0147	0.0899	1
Schistosoma mansoni	smad1 5 8 and	0.0042	0.0137	0.0072
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0443	0.3048	1
Brugia malayi	Latrophilin receptor protein 2	0.0443	0.3048	0.3048
Echinococcus granulosus	smad	0.0042	0.0137	0.0163
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0162	0.011
Brugia malayi	N-terminal motif family protein	0.0201	0.1295	0.1295

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0103 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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

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: CHEMBL1403413

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 1292152