TDR Targets

Basic information

Technical information

TDR Targets ID: 421342
Name: 2-chloro-N-(2-methyl-5,8-dioxoquinolin-7-yl)a cetamide
MW: 264.664 | Formula: C12H9ClN2O3
H donors: 1 H acceptors: 4 LogP: 1.12 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: ClCC(=O)NC1=CC(=O)c2c(C1=O)nc(cc2)C
InChi: 1S/C12H9ClN2O3/c1-6-2-3-7-9(16)4-8(15-10(17)5-13)12(18)11(7)14-6/h2-4H,5H2,1H3,(H,15,17)
InChiKey: UUMZFFKRJZALCG-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-N-(2-methyl-5,8-dioxo-7-quinolyl)acetamide
2-chloro-N-(2-methyl-5,8-dioxo-quinolin-7-yl)ethanamide
2-chloro-N-(5,8-diketo-2-methyl-7-quinolyl)acetamide

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
Schistosoma mansoni	ets-related	0.0216	0.1386	0.1348
Giardia lamblia	Prenyltransferase	0.076	0.6228	1
Mycobacterium ulcerans	beta lactamase-like protein	0.0066	0.0044	0.5
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0066	0.0044	0.0044
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.076	0.6228	1
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0327	0.2368	0.2334
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.1183	1	1
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.1183	1	1
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0874	0.7244	1
Brugia malayi	Ets-domain containing protein	0.0071	0.0092	0.0049
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0238	0.1582	0.2136
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0628	0.5056	0.5035
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0327	0.2368	0.3758
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0443	0.3407	0.5438
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0486	0.3789	0.3762
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.076	0.6228	0.8589
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0238	0.1582	0.1545
Loa Loa (eye worm)	hypothetical protein	0.1183	1	1
Leishmania major	geranylgeranyltransferase, putative	0.0238	0.1582	0.2487
Trypanosoma brucei	lanosterol synthase	0.0874	0.7244	1
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0486	0.3789	0.3762
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0443	0.3407	0.5438
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0327	0.2368	0.2334
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0238	0.1582	0.1545
Leishmania major	farnesyltransferase beta subunit	0.076	0.6228	1
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.076	0.6228	0.6211
Mycobacterium leprae	conserved hypothetical protein	0.0066	0.0044	0.5
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.076	0.6228	1
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.076	0.6228	1
Plasmodium falciparum	geranylgeranyltransferase, putative	0.0238	0.1582	0.2487
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0066	0.0044	0.0044
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0443	0.3407	0.5438
Toxoplasma gondii	hypothetical protein	0.0327	0.2368	0.3758
Mycobacterium ulcerans	hydrolase	0.0066	0.0044	0.5
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0066	0.0044	0.5
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.076	0.6228	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0443	0.3407	0.5438
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0238	0.1582	0.2487
Onchocerca volvulus		0.0327	0.2368	1
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0044	0.5
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0327	0.2368	0.2368
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0327	0.2368	0.2334
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0327	0.2368	0.3758
Trypanosoma cruzi	lanosterol synthase, putative	0.0874	0.7244	1
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0044	0.5
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0066	0.0044	0.5
Treponema pallidum	ribonuclease Z	0.0066	0.0044	0.5
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.1183	1	1
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0327	0.2368	0.3228
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.076	0.6228	1
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.076	0.6228	1
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0486	0.3789	0.6057
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0327	0.2368	0.3758
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0486	0.3789	0.3762
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0327	0.2368	0.3228
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.076	0.6228	1
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0443	0.3407	0.5438
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0327	0.2368	0.3228
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0443	0.3407	0.3378
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.076	0.6228	1
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0443	0.3407	0.3378
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0327	0.2368	0.3228
Giardia lamblia	Rab geranylgeranyltransferase	0.0238	0.1582	0.2487
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.0092	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1582	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0628	0.5056	0.5056
Brugia malayi	Ets-domain containing protein	0.0071	0.0092	0.0049
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0044	0.5
Loa Loa (eye worm)	fli-1 protein	0.0216	0.1386	0.1386
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0521	0.4103	0.6564
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0044	0.0044
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0327	0.2368	0.3228
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0327	0.2368	0.2334
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0044	0.0044
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.076	0.6228	0.6211
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0044	0.0044
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0443	0.3407	0.3407
Schistosoma mansoni	gabp alpha	0.0071	0.0092	0.0049
Leishmania major	lanosterol synthase, putative	0.0635	0.5119	0.8206
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0148	0.0772	0.0732
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0443	0.3407	0.3378
Trypanosoma cruzi	hypothetical protein, conserved	0.0327	0.2368	0.3228
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0066	0.0044	0.0044
Chlamydia trachomatis	ribonuclease Z	0.0066	0.0044	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0327	0.2368	0.3228
Mycobacterium leprae	conserved hypothetical protein	0.0066	0.0044	0.5
Brugia malayi	acetyltransferase, GNAT family protein	0.0148	0.0772	0.0732
Trypanosoma brucei	hypothetical protein, conserved	0.0327	0.2368	0.3228
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0238	0.1582	0.2487
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0486	0.3789	0.3789
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0238	0.1582	0.2487
Brugia malayi	Fli-1 protein	0.0216	0.1386	0.1348
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0319	0.2298	0.2264
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0486	0.3789	0.3762
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0327	0.2368	0.3228
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0044	0.5
Loa Loa (eye worm)	acetyltransferase	0.0148	0.0772	0.0772
Mycobacterium ulcerans	glyoxalase II, GloB	0.0066	0.0044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1582	0.1582
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0628	0.5056	0.5035
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0443	0.3407	0.5438
Giardia lamblia	Rab geranylgeranyltransferase	0.0443	0.3407	0.5438
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0327	0.2368	0.3758
Trypanosoma cruzi	lanosterol synthase, putative	0.0874	0.7244	1
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.0238	0.1582	0.2487
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0238	0.1582	0.1545
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.076	0.6228	0.6211
Loa Loa (eye worm)	hypothetical protein	0.0443	0.3407	0.3407
Trypanosoma cruzi	protein farnesyltransferase, putative	0.076	0.6228	0.8589
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0044	0.0044
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0486	0.3789	0.3762
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0238	0.1582	0.2487
Trypanosoma cruzi	hypothetical protein, conserved	0.0238	0.1582	0.2136
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.0092	0.0049
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0143	0.0735	0.0695
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0486	0.3789	0.6057
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0066	0.0044	0.5
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.076	0.6228	0.6211
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0327	0.2368	0.2334
Trypanosoma cruzi	hypothetical protein, conserved	0.0238	0.1582	0.2136
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0443	0.3407	0.3378
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.0092	0.0092
Mycobacterium ulcerans	hydrolase	0.0066	0.0044	0.5
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0148	0.0772	0.0732
Mycobacterium leprae	Beta-lactamase-like protein	0.0066	0.0044	0.5
Trypanosoma cruzi	protein farnesyltransferase, putative	0.076	0.6228	0.8589
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0327	0.2368	0.3758
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0327	0.2368	0.2334
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0117	0.0495	0.073
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0238	0.1582	0.2487
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.076	0.6228	1
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0238	0.1582	0.2136
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0309	0.2215	0.2181
Giardia lamblia	Rab geranylgeranyltransferase	0.0327	0.2368	0.3758
Toxoplasma gondii	hypothetical protein	0.0117	0.0495	0.073
Schistosoma mansoni	peptidylglycine monooxygenase	0.0628	0.5056	0.5035
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0238	0.1582	0.2487
Mycobacterium ulcerans	hydrolase	0.0066	0.0044	0.5
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.076	0.6228	0.6228
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.076	0.6228	1
Plasmodium vivax	geranylgeranyltransferase, putative	0.0238	0.1582	0.2487

Activities

Activity type	Activity value	Assay description	Source	Reference
LC50 (ADMET)	= 2.3 uM	Cytotoxicity against mouse 3LL cells after 5 days	ChEMBL.	17035024
LC50 (ADMET)	= 2.8 uM	Cytotoxicity against rat H-ras transformed NRK H/1.2 cells after 5 days	ChEMBL.	17035024
LC50 (ADMET)	= 3.2 uM	Cytotoxicity against rat NRK 52E cells after 5 days	ChEMBL.	17035024
LC50 (ADMET)	= 3.4 uM	Cytotoxicity against rat N-ras transformed NRK N/4.2 cells after 5 days	ChEMBL.	17035024
LC50 (ADMET)	= 6.6 uM	Cytotoxicity against rat K-ras transformed NRK K/1 cells after 5 days	ChEMBL.	17035024

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

PubChem: 11701688

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 421342