TDR Targets

Basic information

Technical information

TDR Targets ID: 410383
Name: 2-(4-carboxyphenyl)-3-hydroxy-7,8-dimethylqui noline-4-carboxylic acid
MW: 337.326 | Formula: C19H15NO5
H donors: 3 H acceptors: 6 LogP: 3.83 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1c(O)c(nc2c1ccc(c2C)C)c1ccc(cc1)C(=O)O
InChi: 1S/C19H15NO5/c1-9-3-8-13-14(19(24)25)17(21)16(20-15(13)10(9)2)11-4-6-12(7-5-11)18(22)23/h3-8,21H,1-2H3,(H,22,23)(H,24,25)
InChiKey: GHXDEHKYPRQOMP-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-carboxyphenyl)-3-hydroxy-7,8-dimethyl-quinoline-4-carboxylic acid
2-(4-carboxyphenyl)-3-hydroxy-7,8-dimethyl-4-quinolinecarboxylic acid
2-(4-carboxyphenyl)-3-hydroxy-7,8-dimethyl-cinchoninic acid

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
Loa Loa (eye worm)	ctsf protein	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.015	0.0577	0.0982
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0548	0.5878	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0365	0.3433	0.3433
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0247	0.1867	0.1867
Onchocerca volvulus		0.0548	0.5878	1
Onchocerca volvulus		0.0365	0.3433	0.5841
Trypanosoma cruzi	cysteine peptidase, putative	0.0548	0.5878	1
Onchocerca volvulus	Cathepsin L homolog	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Brugia malayi	Cathepsin L-like precursor	0.0184	0.1022	0.1739
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Trypanosoma cruzi	cysteine proteinase, putative	0.029	0.2444	0.4159
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0184	0.1022	0.1739
Brugia malayi	Cathepsin L-like precursor	0.0548	0.5878	1
Loa Loa (eye worm)	hypothetical protein	0.0365	0.3433	0.5841
Echinococcus granulosus	cysteine protease	0.029	0.2444	0.4159
Brugia malayi	Papain family cysteine protease containing protein	0.029	0.2444	0.4159
Loa Loa (eye worm)	hypothetical protein	0.0365	0.3433	0.5841
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.015	0.0577	0.0577
Echinococcus granulosus	cathepsin L	0.029	0.2444	0.4159
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Trypanosoma cruzi	squalene synthase, putative	0.0125	0.0239	0.0406
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Echinococcus multilocularis	cathepsin b	0.0247	0.1867	0.3176
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0247	0.1867	0.1867
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0548	0.5878	1
Echinococcus multilocularis	cysteine protease	0.0548	0.5878	1
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0365	0.3433	0.5841
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0548	0.5878	1
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0365	0.3433	0.5841
Trypanosoma cruzi	cysteine peptidase, putative	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0548	0.5878	1
Trypanosoma cruzi	squalene synthase, putative	0.0125	0.0239	0.0406
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Onchocerca volvulus	Cathepsin L homolog	0.0548	0.5878	1
Brugia malayi	Cathepsin L-like precursor	0.0548	0.5878	1
Echinococcus granulosus	cathepsin b	0.0247	0.1867	0.3176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.029	0.2444	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0365	0.3433	0.5841
Echinococcus granulosus	cathepsin l1	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Brugia malayi	Cathepsin L-like precursor	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0247	0.1867	0.3176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.0548	0.5878	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0184	0.1022	0.1739
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Plasmodium vivax	vivapain-2	0.0548	0.5878	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1022	0.1739
Plasmodium vivax	unspecified product	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0365	0.3433	0.5841
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.015	0.0577	0.06
Entamoeba histolytica	cysteine proteinase, putative	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Brugia malayi	Cathepsin L-like precursor	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Plasmodium vivax	unspecified product	0.0184	0.1022	0.1739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Entamoeba histolytica	cysteine proteinase, putative	0.029	0.2444	0.4159
Onchocerca volvulus		0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0548	0.5878	0.5878
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0548	0.5878	1
Onchocerca volvulus		0.0548	0.5878	1
Entamoeba histolytica	cysteine proteinase, putative	0.0548	0.5878	1
Echinococcus multilocularis	cathepsin L	0.029	0.2444	0.4159
Toxoplasma gondii	cathepsin CPL	0.0548	0.5878	1
Entamoeba histolytica	cysteine proteinase 2	0.029	0.2444	0.4159
Trypanosoma cruzi	cysteine peptidase, putative	0.029	0.2444	0.4159
Echinococcus granulosus	cathepsin L cysteine protease	0.029	0.2444	0.4159
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.029	0.2444	0.3911
Plasmodium vivax	vivapain-3	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Brugia malayi	Cathepsin L-like precursor	0.0365	0.3433	0.5841
Schistosoma mansoni	cathepsin F (C01 family)	0.0548	0.5878	0.5878
Echinococcus multilocularis	cysteine protease	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Loa Loa (eye worm)	hypothetical protein	0.0247	0.1867	0.3176
Loa Loa (eye worm)	cathepsin B	0.015	0.0577	0.0982
Onchocerca volvulus		0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.029	0.2444	0.3911
Echinococcus granulosus	cathepsin l1	0.0365	0.3433	0.5841
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Brugia malayi	Cathepsin L-like precursor	0.0548	0.5878	1
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.029	0.2444	0.2444
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.029	0.2444	0.2444
Brugia malayi	Papain family cysteine protease containing protein	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.029	0.2444	0.4159
Schistosoma mansoni	cathepsin s	0.0184	0.1022	0.1022
Entamoeba histolytica	cysteine proteinase 1, putative	0.029	0.2444	0.4159
Plasmodium falciparum	cysteine proteinase falcipain 1	0.029	0.2444	0.4159
Onchocerca volvulus		0.0548	0.5878	1
Toxoplasma gondii	cathepsin B	0.015	0.0577	0.0982
Trypanosoma cruzi	cysteine proteinase, putative	0.029	0.2444	0.4159
Entamoeba histolytica	cysteine proteinase, putative	0.0548	0.5878	1
Entamoeba histolytica	cysteine proteinase, putative	0.0365	0.3433	0.5841
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.015	0.0577	0.0982
Leishmania major	cathepsin L-like protease	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0548	0.5878	1
Giardia lamblia	Cathepsin B precursor	0.015	0.0577	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0247	0.1867	0.3176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Giardia lamblia	Cathepsin B precursor	0.015	0.0577	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1022	0.1739
Brugia malayi	Cathepsin L-like precursor	0.0365	0.3433	0.5841
Schistosoma mansoni	amine GPCR	0.0542	0.5801	0.5801
Loa Loa (eye worm)	hypothetical protein	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1022	0.1739
Giardia lamblia	Cathepsin B precursor	0.015	0.0577	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.015	0.0577	0.06
Trypanosoma cruzi	cruzipain precursor, putative	0.0184	0.1022	0.1739
Onchocerca volvulus		0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Plasmodium vivax	vivapain-1	0.029	0.2444	0.4159
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0548	0.5878	1
Leishmania major	cysteine peptidase A (CPA)	0.0548	0.5878	1
Brugia malayi	Papain family cysteine protease containing protein	0.0548	0.5878	1
Entamoeba histolytica	cysteine proteinase, putative	0.029	0.2444	0.4159
Brugia malayi	Cathepsin L-like precursor	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.029	0.2444	0.4159
Onchocerca volvulus		0.0548	0.5878	1
Plasmodium vivax	vivapain-2	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Entamoeba histolytica	cysteine proteinase, putative	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0548	0.5878	1
Echinococcus granulosus	cathepsin b	0.0247	0.1867	0.3176
Onchocerca volvulus	Cathepsin F homolog	0.0548	0.5878	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0548	0.5878	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0184	0.1022	0.1739
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0184	0.1022	0.1739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0365	0.3433	0.5841
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Trypanosoma cruzi	cysteine protease, putative	0.029	0.2444	0.4159
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Loa Loa (eye worm)	cysteine protease	0.0548	0.5878	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0548	0.5878	1
Entamoeba histolytica	cysteine protease, putative	0.029	0.2444	0.4159
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0247	0.1867	0.1867
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0548	0.5878	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0247	0.1867	0.1867
Brugia malayi	cathepsin L-like precursor	0.0365	0.3433	0.5841
Trypanosoma cruzi	cruzipain precursor, putative	0.0548	0.5878	1
Loa Loa (eye worm)	fibroinase	0.0548	0.5878	1
Echinococcus multilocularis	cathepsin b	0.0247	0.1867	0.3176
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0548	0.5878	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 17 %	Inhibition of human recombinant P-selectin expressed in CHO cells by Biacore assay at 1 mM	ChEMBL.	17201408
Inhibition (binding)	= 17 %	Inhibition of human recombinant P-selectin expressed in CHO cells by Biacore assay at 1 mM	ChEMBL.	17201408

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: 16099983

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 410383