TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 421.88 | Formula: C22H20ClN5O2
H donors: 2 H acceptors: 2 LogP: 4.13 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc2c1cc(cc2)n1c(=O)[nH]nc1c1ccnc(c1)NC1CCOCC1
InChi: 1S/C22H20ClN5O2/c23-19-3-1-2-14-4-5-17(13-18(14)19)28-21(26-27-22(28)29)15-6-9-24-20(12-15)25-16-7-10-30-11-8-16/h1-6,9,12-13,16H,7-8,10-11H2,(H,24,25)(H,27,29)
InChiKey: TTXQZIOMYONUEL-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 10	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase 8	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04440 c-Jun N-terminal kinase, putative	Get druggable targets OG5_129677	All targets in OG5_129677
Brugia malayi	Stress-activated protein kinase jnk-1	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus granulosus	c-Jun N-terminal kinases	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus multilocularis	c Jun NH2 terminal kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Schistosoma japonicum	IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing	Get druggable targets OG5_129677	All targets in OG5_129677
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Trypanosoma cruzi	malate dehydrogenase, putative	0.0263	0.2633	0.2633
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0001	0.0004
Schistosoma mansoni	malate dehydrogenase	0.0284	0.2867	0.2866
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.0654	0.0654
Echinococcus granulosus	lactate dehydrogenase a	0.0609	0.6484	0.6484
Onchocerca volvulus		0.0038	0.0142	1
Echinococcus granulosus	c-Jun N-terminal kinases	0.0557	0.5898	0.5898
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Plasmodium vivax	vivapain-2	0.0038	0.0142	0.0219
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0609	0.6484	1
Plasmodium falciparum	lactate dehydrogenase, putative	0.0263	0.2633	0.406
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0142	0.0142
Trypanosoma brucei	carbonic anhydrase-like protein	0.0926	1	1
Echinococcus multilocularis	lactate dehydrogenase protein	0.0609	0.6484	0.6484
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0557	0.5898	0.5898
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0284	0.2867	0.2867
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0502	0.5285	0.5285
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0142	0.0142
Leishmania major	malate dehydrogenase, putative	0.0263	0.2633	0.2633
Leishmania major	cathepsin L-like protease	0.0084	0.0654	0.0654
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Leishmania major	glycosomal malate dehydrogenase	0.0284	0.2867	0.2867
Trichomonas vaginalis	malate dehydrogenase, putative	0.0263	0.2633	0.8911
Plasmodium falciparum	malate dehydrogenase	0.0609	0.6484	1
Echinococcus granulosus	cathepsin l1	0.0038	0.0142	0.0142
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0292	0.2955	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.0001	0.0002
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Echinococcus multilocularis	malate dehydrogenase	0.0284	0.2867	0.2867
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Echinococcus multilocularis	lactate dehydrogenase a	0.0609	0.6484	0.6484
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.0654	0.0654
Trypanosoma cruzi	cruzipain precursor, putative	0.0084	0.0654	0.0654
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0142	0.0142
Giardia lamblia	Malate dehydrogenase	0.0292	0.2955	1
Schistosoma mansoni	carbonic anhydrase-related	0.0502	0.5285	0.5285
Entamoeba histolytica	malate dehydrogenase, putative	0.0292	0.2955	0.4557
Leishmania major	malate dehydrogenase	0.0284	0.2867	0.2867
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0142	0.0219
Leishmania major	cathepsin L-like protease	0.0038	0.0142	0.0142
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0263	0.2633	0.406
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0142	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0502	0.5285	0.5285
Echinococcus multilocularis	L lactate dehydrogenase	0.0347	0.3568	0.3568
Loa Loa (eye worm)	malate dehydrogenase	0.0292	0.2955	0.2955
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0292	0.2955	0.5
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0609	0.6484	0.6484
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Loa Loa (eye worm)	cysteine protease	0.0038	0.0142	0.0142
Trichomonas vaginalis	malate dehydrogenase, putative	0.0157	0.1459	0.4938
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Schistosoma mansoni	serine/threonine protein kinase	0.0557	0.5898	0.5897
Echinococcus granulosus	carbonic anhydrase II	0.0926	1	1
Loa Loa (eye worm)	hypothetical protein	0.0609	0.6484	0.6484
Echinococcus granulosus	lactate dehydrogenase protein	0.0609	0.6484	0.6484
Brugia malayi	lactate dehydrogenase.	0.0609	0.6484	0.6484
Echinococcus multilocularis	carbonic anhydrase	0.0502	0.5285	0.5285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0038	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0001	0.0001
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0284	0.2867	0.2867
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0292	0.2955	0.2955
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Echinococcus granulosus	malate dehydrogenase	0.0284	0.2867	0.2867
Echinococcus granulosus	carbonic anhydrase	0.0502	0.5285	0.5285
Onchocerca volvulus		0.0038	0.0142	1
Schistosoma mansoni	malate dehydrogenase	0.0292	0.2955	0.2954
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0142	0.0142
Loa Loa (eye worm)	fibroinase	0.0038	0.0142	0.0142
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0292	0.2955	0.2955
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0926	1	1
Leishmania major	cathepsin L-like protease	0.0084	0.0654	0.0654
Leishmania major	cathepsin L-like protease	0.0038	0.0142	0.0142
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0142	0.0141
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0502	0.5285	0.5285
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0038	0.0142	0.0219
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0142	0.0142
Leishmania major	malate dehydrogenase, putative	0.0609	0.6484	0.6484
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Loa Loa (eye worm)	ctsf protein	0.0038	0.0142	0.0142
Echinococcus granulosus	lactate dehydrogenase a	0.0609	0.6484	0.6484
Leishmania major	cathepsin L-like protease	0.0038	0.0142	0.0142
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0142	0.0141
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0292	0.2955	1
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0292	0.2955	0.2955
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0926	1	1
Brugia malayi	cathepsin L-like precursor	0.0026	0.0001	0.0001
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0142	0.0219
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Schistosoma mansoni	carbonic anhydrase-related	0.0502	0.5285	0.5285
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Loa Loa (eye worm)	hypothetical protein	0.0502	0.5285	0.5285
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0609	0.6484	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0001	0.0001
Leishmania major	cysteine peptidase A (CPA)	0.0038	0.0142	0.0142
Plasmodium vivax	malate dehydrogenase, putative	0.0609	0.6484	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0284	0.2867	0.2867
Echinococcus multilocularis	cysteine protease	0.0038	0.0142	0.0142
Toxoplasma gondii	cathepsin CPL	0.0038	0.0142	0.0219
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Plasmodium falciparum	L-lactate dehydrogenase	0.0609	0.6484	1
Echinococcus multilocularis	carbonic anhydrase II	0.0926	1	1
Onchocerca volvulus		0.0038	0.0142	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0038	0.0142	0.0142
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0142	0.0219
Plasmodium vivax	vivapain-2	0.0038	0.0142	0.0219
Echinococcus multilocularis	lactate dehydrogenase a	0.0609	0.6484	0.6484
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0292	0.2955	1
Leishmania major	mitochondrial malate dehydrogenase	0.0284	0.2867	0.2867
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0038	0.0142	0.0219
Echinococcus multilocularis	cathepsin L cysteine protease	0.0038	0.0142	0.0142
Loa Loa (eye worm)	malate dehydrogenase	0.0284	0.2867	0.2867
Echinococcus granulosus	L lactate dehydrogenase	0.0347	0.3568	0.3568
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0292	0.2955	0.2955
Onchocerca volvulus		0.0038	0.0142	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0128	0.1137	0.3849
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0142	0.0142
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Echinococcus multilocularis	malate dehydrogenase	0.0284	0.2867	0.2867
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0038	0.0142	0.0142
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0001	0.0001
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0284	0.2867	0.2867
Onchocerca volvulus		0.0038	0.0142	1
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0292	0.2955	0.2955
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0284	0.2867	0.2867
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0142	0.0142
Schistosoma mansoni	carbonic anhydrase	0.0502	0.5285	0.5285
Echinococcus granulosus	carbonic anhydrase	0.0502	0.5285	0.5285
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0142	0.0142
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0072	0.0514	0.0514
Echinococcus multilocularis	carbonic anhydrase	0.0502	0.5285	0.5285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0292	0.2955	0.2955
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0557	0.5898	0.5898
Echinococcus granulosus	cathepsin l1	0.0026	0.0001	0.0001
Loa Loa (eye worm)	carbonic anhydrase 3	0.0926	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Plasmodium falciparum	carbonic anhydrase	0.0502	0.5285	0.8151
Leishmania major	carbonic anhydrase-like protein	0.0926	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0284	0.2867	0.2867
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Mycobacterium ulcerans	malate dehydrogenase	0.0292	0.2955	0.5
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0292	0.2955	0.2955
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0502	0.5285	0.5285
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0001	0.0001
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0292	0.2955	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0001	0.0001
Toxoplasma gondii	hypothetical protein	0.0502	0.5285	0.8151
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0292	0.2955	0.4557
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Leishmania major	cathepsin L-like protease	0.0038	0.0142	0.0142
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0038	0.0142	0.0142
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0926	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.0654	0.0654
Onchocerca volvulus		0.0038	0.0142	1
Leishmania major	cathepsin L-like protease	0.0038	0.0142	0.0142
Echinococcus multilocularis	lactate dehydrogenase a	0.0609	0.6484	0.6484
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Echinococcus multilocularis	carbonic anhydrase	0.0502	0.5285	0.5285
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0142	1
Loa Loa (eye worm)	hypothetical protein	0.0502	0.5285	0.5285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0038	0.0142	0.048
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0026	0.0001	0.0001
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Trypanosoma brucei	malate dehydrogenase-related	0.0263	0.2633	0.2633
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0502	0.5285	0.5285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Onchocerca volvulus		0.0038	0.0142	1
Plasmodium vivax	lactate dehydrogenase	0.0609	0.6484	1
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0609	0.6484	0.6484
Brugia malayi	Stress-activated protein kinase jnk-1	0.0557	0.5898	0.5898
Schistosoma mansoni	hypothetical protein	0.0502	0.5285	0.5285
Schistosoma mansoni	malate dehydrogenase	0.0292	0.2955	0.2954
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0292	0.2955	0.2955
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0926	1	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0609	0.6484	1
Leishmania major	cytosolic malate dehydrogenase	0.0292	0.2955	0.2955
Schistosoma mansoni	L-lactate dehydrogenase	0.0263	0.2633	0.2632
Trypanosoma cruzi	malate dehydrogenase, putative	0.0284	0.2867	0.2867
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0038	0.0142	0.048
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0609	0.6484	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.0654	0.0654
Onchocerca volvulus	Cathepsin F homolog	0.0038	0.0142	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0926	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0502	0.5285	0.5285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.0001	0.0004
Trypanosoma cruzi	cysteine peptidase, putative	0.0038	0.0142	0.0142
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0502	0.5285	0.5285
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0292	0.2955	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Echinococcus multilocularis	cysteine protease	0.0038	0.0142	0.0142
Echinococcus multilocularis	cathepsin L cysteine protease	0.0038	0.0142	0.0142
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0502	0.5285	0.5285
Schistosoma mansoni	L-lactate dehydrogenase	0.0609	0.6484	0.6484
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0926	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0038	0.0142	0.0219
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Toxoplasma gondii	malate dehydrogenase MDH	0.0609	0.6484	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Chlamydia trachomatis	malate dehydrogenase	0.0292	0.2955	0.5
Echinococcus granulosus	carbonic anhydrase	0.0502	0.5285	0.5285
Trichomonas vaginalis	malate dehydrogenase, putative	0.0292	0.2955	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0038	0.0142	0.0142
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0038	0.0142	0.0142
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0142	0.048
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.0307	0.0307
Schistosoma mansoni	malate dehydrogenase	0.0609	0.6484	0.6484
Echinococcus granulosus	malate dehydrogenase	0.0284	0.2867	0.2867
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0142	0.048
Leishmania major	cathepsin L-like protease	0.0084	0.0654	0.0654

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.014 uM	Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay	ChEMBL.	21112785
IC50 (binding)	= 0.11 uM	Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay	ChEMBL.	21112785
IC50 (binding)	= 0.15 uM	Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay	ChEMBL.	21112785

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: CHEMBL1644637

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1463966