TDR Targets

Basic information

Technical information

TDR Targets ID: 1592696
Name: 3-oxo-7-(trifluoromethyl)-4H-quinoxaline-2-ca rboxylic acid
MW: 258.154 | Formula: C10H5F3N2O3
H donors: 2 H acceptors: 3 LogP: 2.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1nc2cc(ccc2[nH]c1=O)C(F)(F)F
InChi: 1S/C10H5F3N2O3/c11-10(12,13)4-1-2-5-6(3-4)14-7(9(17)18)8(16)15-5/h1-3H,(H,15,16)(H,17,18)
InChiKey: PGHBNLQJQONMKI-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-keto-7-(trifluoromethyl)-4H-quinoxaline-2-carboxylic acid
3-Hydroxy-7-(trifluoromethyl)-2-quinoxalinecarboxylic acid
AIDS-148914
AIDS148914
NSC682228
NCI60_029411

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
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0479	0.019	0.5
Loa Loa (eye worm)	hypothetical protein	0.0479	0.019	0.0697
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0479	0.019	0.0697
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0479	0.019	0.0697
Onchocerca volvulus		0.0479	0.019	1
Loa Loa (eye worm)	hypothetical protein	0.0479	0.019	0.0697
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0479	0.019	0.0697
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0479	0.019	0.5
Echinococcus granulosus	carboxylesterase 5A	0.2111	0.2722	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0479	0.019	0.5
Brugia malayi	Carboxylesterase family protein	0.2111	0.2722	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0479	0.019	0.019
Mycobacterium tuberculosis	Possible oxidoreductase	0.0479	0.019	0.0205
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2111	0.2722	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0479	0.019	0.5
Leishmania major	UDP-galactopyranose mutase	0.0479	0.019	0.5
Toxoplasma gondii	histone lysine-specific demethylase	0.0479	0.019	0.5
Echinococcus granulosus	acetylcholinesterase	0.2111	0.2722	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.6324	0.9257	1
Echinococcus multilocularis	acetylcholinesterase	0.2111	0.2722	1
Loa Loa (eye worm)	hypothetical protein	0.0479	0.019	0.0697
Brugia malayi	Carboxylesterase family protein	0.2111	0.2722	1
Mycobacterium ulcerans	monoamine oxidase	0.0479	0.019	0.019
Echinococcus multilocularis		0.0479	0.019	0.0697
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0479	0.019	0.0697
Loa Loa (eye worm)	acetylcholinesterase 1	0.2111	0.2722	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0479	0.019	0.0697
Plasmodium vivax	hypothetical protein, conserved	0.0479	0.019	0.5
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0479	0.019	0.5
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0479	0.019	0.5
Loa Loa (eye worm)	hypothetical protein	0.2111	0.2722	1
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0479	0.019	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0479	0.019	0.0697
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0479	0.019	0.0697
Plasmodium falciparum	protoporphyrinogen oxidase	0.0479	0.019	0.5
Mycobacterium ulcerans	dehydrogenase	0.0479	0.019	0.019
Loa Loa (eye worm)	carboxylesterase	0.2111	0.2722	1
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0479	0.019	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.2111	0.2722	1
Mycobacterium ulcerans	oxidoreductase	0.0479	0.019	0.019
Brugia malayi	SWIRM domain containing protein	0.0479	0.019	0.0697
Brugia malayi	hypothetical protein	0.0479	0.019	0.0697
Schistosoma mansoni	amine oxidase	0.0479	0.019	0.0697
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0479	0.019	0.0205
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0479	0.019	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0357	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0479	0.019	0.0697
Loa Loa (eye worm)	hypothetical protein	0.2111	0.2722	1
Plasmodium vivax	hypothetical protein, conserved	0.0479	0.019	0.5
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.6803	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0357	0	0.5
Echinococcus granulosus	acetylcholinesterase	0.2111	0.2722	1
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0479	0.019	0.5
Loa Loa (eye worm)	hypothetical protein	0.0479	0.019	0.0697
Echinococcus multilocularis	acetylcholinesterase	0.2111	0.2722	1
Schistosoma mansoni	amine oxidase	0.0479	0.019	0.0697

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.216	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1978851

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 1592696