TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 483.605 | Formula: C29H33N5O2
H donors: 1 H acceptors: 2 LogP: 5.68 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=c1n(CC2CCOCC2)nc(n1c1ccc2c(c1)cccc2)c1ccnc(c1)NC1CCCCC1
InChi: 1S/C29H33N5O2/c35-29-33(20-21-13-16-36-17-14-21)32-28(34(29)26-11-10-22-6-4-5-7-23(22)18-26)24-12-15-30-27(19-24)31-25-8-2-1-3-9-25/h4-7,10-12,15,18-19,21,25H,1-3,8-9,13-14,16-17,20H2,(H,30,31)
InChiKey: DXTYYUXUIQZDHR-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 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
Schistosoma japonicum	ko:K04440 c-Jun N-terminal kinase, putative	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
Echinococcus granulosus	c-Jun N-terminal kinases	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

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	0.0061	0.0388	0.1336
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0836	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0036	0.0079	0.0079
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0836	1	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0104	0.0104
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Loa Loa (eye worm)	oxidoreductase	0.0036	0.0079	0.0079
Leishmania major	cathepsin L-like protease	0.016	0.1624	0.1624
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0079	0.0079
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0836	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Echinococcus multilocularis	lamin dm0	0.0058	0.0349	0.0349
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0122	0.1148	0.3918
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.0023	0.0078
Schistosoma mansoni	L-lactate dehydrogenase	0.0237	0.2577	0.256
Leishmania major	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0079
Echinococcus multilocularis	carbonic anhydrase	0.0453	0.5248	0.5248
Echinococcus multilocularis	lactate dehydrogenase a	0.055	0.646	0.646
Schistosoma mansoni	malate dehydrogenase	0.055	0.646	0.6452
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.014	0.1375	0.1375
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0091	0.0765	0.2592
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Loa Loa (eye worm)	malate dehydrogenase	0.0256	0.2814	0.2814
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0256	0.2814	0.2814
Loa Loa (eye worm)	intermediate filament protein	0.0058	0.0349	0.0349
Echinococcus granulosus	lactate dehydrogenase a	0.055	0.646	0.646
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Echinococcus granulosus	L lactate dehydrogenase B chain	0.055	0.646	0.646
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.0139
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0256	0.2814	0.2814
Echinococcus multilocularis	carbonic anhydrase	0.0453	0.5248	0.5248
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0036	0.0079	0.0079
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.0023	0.0035
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0388	0.0388
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0098	0.0279
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0098	0.0098
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0079
Plasmodium vivax	malate dehydrogenase, putative	0.055	0.646	1
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.0023	0.0035
Trypanosoma brucei	trypanothione reductase	0.0037	0.0098	0.0098
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0036	0.0079	0.0122
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0036	0.0079	0.0079
Onchocerca volvulus	Cathepsin L homolog	0.0061	0.0388	0.2893
Trichomonas vaginalis	antibiotic synthetase, putative	0.0036	0.0079	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0765	0.0765
Brugia malayi	AMP-binding enzyme family protein	0.0122	0.1148	0.1148
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0122	0.1148	0.3918
Echinococcus granulosus	c-Jun N-terminal kinases	0.0557	0.6537	0.6537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Echinococcus multilocularis	cysteine protease	0.0061	0.0388	0.0388
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0264	0.2902	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0142	0.1394	0.4801
Leishmania major	4-coumarate:coa ligase-like protein	0.0122	0.1148	0.1148
Schistosoma mansoni	malate dehydrogenase	0.0264	0.2902	0.2886
Echinococcus granulosus	lamin	0.0058	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0336	0.0336
Entamoeba histolytica	malate dehydrogenase, putative	0.055	0.646	1
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.055	0.646	0.5
Brugia malayi	intermediate filament protein	0.0058	0.0349	0.0349
Onchocerca volvulus		0.0061	0.0388	0.2893
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0264	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0453	0.5248	0.5248
Trypanosoma cruzi	cysteine protease, putative	0.0031	0.0023	0.0023
Toxoplasma gondii	hypothetical protein	0.0453	0.5248	0.8123
Mycobacterium ulcerans	acyl-CoA synthetase	0.0122	0.1148	0.3785
Entamoeba histolytica	cysteine proteinase, putative	0.0061	0.0388	0.06
Toxoplasma gondii	lactate dehydrogenase LDH1	0.055	0.646	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0122	0.1148	0.1776
Leishmania major	trypanothione reductase	0.0037	0.0098	0.0098
Onchocerca volvulus		0.0061	0.0388	0.2893
Echinococcus granulosus	carbonic anhydrase	0.0453	0.5248	0.5248
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0122	0.1148	0.3785
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Loa Loa (eye worm)	ctsf protein	0.0061	0.0388	0.0388
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0264	0.2902	0.2902
Mycobacterium ulcerans	acyl-CoA synthetase	0.0122	0.1148	0.3785
Echinococcus multilocularis	cysteine protease	0.0061	0.0388	0.0388
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0122	0.1148	0.3785
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0058	0.0349	0.0349
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0079
Trypanosoma cruzi	cysteine peptidase, putative	0.0031	0.0023	0.0023
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Trypanosoma brucei	malate dehydrogenase-related	0.0237	0.2577	0.2577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Plasmodium falciparum	glutathione reductase	0.0037	0.0098	0.0151
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0256	0.2814	0.2814
Echinococcus multilocularis	lactate dehydrogenase a	0.055	0.646	0.646
Schistosoma mansoni	L-lactate dehydrogenase	0.055	0.646	0.6452
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0349	0.0349
Leishmania major	cathepsin L-like protease	0.016	0.1624	0.1624
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0079	0.0079
Schistosoma mansoni	carbonic anhydrase-related	0.0453	0.5248	0.5237
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.055	0.646	0.646
Schistosoma mansoni	serine/threonine protein kinase	0.0557	0.6537	0.6529
Onchocerca volvulus		0.0058	0.0349	0.2529
Loa Loa (eye worm)	malate dehydrogenase	0.0264	0.2902	0.2902
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0264	0.2902	0.2902
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0122
Schistosoma mansoni	carbonic anhydrase	0.0453	0.5248	0.5237
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0098	0.0098
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0388	0.0388
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0036	0.0079	0.0214
Plasmodium falciparum	lactate dehydrogenase, putative	0.0237	0.2577	0.3989
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0091	0.0765	0.2431
Leishmania major	4-coumarate:coa ligase-like protein	0.0122	0.1148	0.1148
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Onchocerca volvulus		0.0061	0.0388	0.2893
Onchocerca volvulus		0.0041	0.0139	0.0562
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0388	0.0388
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0041	0.0139	0.0139
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0453	0.5248	0.5248
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Brugia malayi	glutathione reductase	0.0037	0.0098	0.0098
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0264	0.2902	0.2902
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0079	0.0214
Echinococcus multilocularis	cathepsin L cysteine protease	0.0061	0.0388	0.0388
Brugia malayi	cytoplasmic intermediate filament protein	0.0031	0.0017	0.0017
Leishmania major	malate dehydrogenase, putative	0.0237	0.2577	0.2577
Echinococcus granulosus	cathepsin l1	0.0041	0.0139	0.0139
Echinococcus multilocularis	cathepsin L cysteine protease	0.0061	0.0388	0.0388
Onchocerca volvulus		0.0061	0.0388	0.2893
Brugia malayi	Papain family cysteine protease containing protein	0.0031	0.0023	0.0023
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0703	0.2379
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1148	0.1148
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0703	0.2379
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.0809	0.2744
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0079	0.0079
Schistosoma mansoni	cathepsin F (C01 family)	0.0061	0.0388	0.0366
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0691	0.2336
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0061	0.0388	0.0388
Onchocerca volvulus		0.0061	0.0388	0.2893
Leishmania major	cathepsin L-like protease	0.0061	0.0388	0.0388
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0079	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1148	0.1148
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0256	0.2814	0.2814
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0098	0.0151
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.1624	0.1624
Onchocerca volvulus	Cathepsin L homolog	0.0061	0.0388	0.2893
Trichomonas vaginalis	malate dehydrogenase, putative	0.0237	0.2577	0.8878
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0122
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0036	0.0079	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0765	0.0765
Leishmania major	cathepsin L-like protease	0.0061	0.0388	0.0388
Trypanosoma cruzi	malate dehydrogenase, putative	0.0237	0.2577	0.2577
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0388	0.0388
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0836	1	1
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0079
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0264	0.2902	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Onchocerca volvulus		0.0122	0.1148	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.1148	0.1148
Leishmania major	cathepsin L-like protease	0.0061	0.0388	0.0388
Plasmodium falciparum	malate dehydrogenase	0.055	0.646	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0031	0.0023	0.0023
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0557	0.6537	0.6537
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0098	0.0151
Leishmania major	4-coumarate:coa ligase-like protein	0.0122	0.1148	0.1148
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0061	0.0388	0.06
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0036	0.0079	0.0079
Echinococcus granulosus	L lactate dehydrogenase	0.0313	0.3518	0.3518
Echinococcus granulosus	malate dehydrogenase	0.0256	0.2814	0.2814
Mycobacterium ulcerans	acyl-CoA synthetase	0.0122	0.1148	0.3785
Loa Loa (eye worm)	hypothetical protein	0.0453	0.5248	0.5248
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0031	0.0023	0.0023
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Echinococcus granulosus	cathepsin L cysteine protease	0.0031	0.0023	0.0023
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0079	0.0214
Trichomonas vaginalis	malate dehydrogenase, putative	0.0116	0.1068	0.3679
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0031	0.0023	0.0035
Plasmodium falciparum	L-lactate dehydrogenase	0.055	0.646	1
Brugia malayi	Papain family cysteine protease containing protein	0.0031	0.0023	0.0023
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.0809	0.2744
Trypanosoma cruzi	major cysteine proteinase, putative	0.0111	0.101	0.101
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Brugia malayi	Cathepsin L-like precursor	0.0041	0.0139	0.0139
Brugia malayi	AMP-binding enzyme family protein	0.0122	0.1148	0.1148
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0122	0.1148	0.1776
Schistosoma mansoni	acetyl-CoA synthetase	0.0036	0.0079	0.0056
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0264	0.2902	0.2902
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0079	0.0214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0061	0.0388	0.1336
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0453	0.5248	0.5248
Plasmodium vivax	unspecified product	0.0031	0.0023	0.0035
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.1624	0.1624
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0691	0.2336
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0085	0.0691	0.2168
Mycobacterium ulcerans	malate dehydrogenase	0.0264	0.2902	1
Echinococcus multilocularis	carbonic anhydrase II	0.0836	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0122	0.1148	0.1148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0453	0.5248	0.5248
Echinococcus multilocularis	cathepsin L	0.0031	0.0023	0.0023
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0098	0.0151
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0061	0.0388	0.0388
Onchocerca volvulus		0.0061	0.0388	0.2893
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Entamoeba histolytica	acyl-coA synthetase, putative	0.0122	0.1148	0.1776
Echinococcus granulosus	cathepsin l1	0.0061	0.0388	0.0388
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Echinococcus granulosus	lactate dehydrogenase protein	0.055	0.646	0.646
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Onchocerca volvulus	Cathepsin F homolog	0.0061	0.0388	0.2893
Trypanosoma cruzi	malate dehydrogenase, putative	0.0256	0.2814	0.2814
Entamoeba histolytica	cysteine protease, putative	0.0061	0.0388	0.06
Schistosoma mansoni	malate dehydrogenase	0.0256	0.2814	0.2797
Echinococcus multilocularis	musashi	0.0058	0.0349	0.0349
Schistosoma mansoni	lamin	0.0058	0.0349	0.0327
Echinococcus multilocularis	malate dehydrogenase	0.0256	0.2814	0.2814
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0036	0.0079	0.0214
Leishmania major	cathepsin L-like protease	0.0061	0.0388	0.0388
Entamoeba histolytica	cysteine proteinase, putative	0.0061	0.0388	0.06
Schistosoma mansoni	intermediate filament proteins	0.0058	0.0349	0.0327
Loa Loa (eye worm)	fibroinase	0.0061	0.0388	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0079	0.0079
Trypanosoma cruzi	cysteine peptidase, putative	0.016	0.1624	0.1624
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0079	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.0139
Brugia malayi	lactate dehydrogenase.	0.055	0.646	0.646
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0061	0.0388	0.0388
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0388	0.0388
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Toxoplasma gondii	propionate-CoA ligase	0.0036	0.0079	0.0122
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0836	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0453	0.5248	0.5248
Onchocerca volvulus		0.0061	0.0388	0.2893
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0765	0.0765
Leishmania major	glycosomal malate dehydrogenase	0.0256	0.2814	0.2814
Plasmodium falciparum	acyl-CoA synthetase	0.0091	0.0765	0.1184
Trypanosoma cruzi	cysteine proteinase, putative	0.0031	0.0023	0.0023
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0061	0.0388	0.06
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0122	0.1148	0.3785
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0061	0.0388	0.0388
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0691	0.2336
Plasmodium vivax	vivapain-2	0.0061	0.0388	0.06
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.0809	0.2585
Echinococcus multilocularis	L lactate dehydrogenase	0.0313	0.3518	0.3518
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.0023	0.0078
Leishmania major	malate dehydrogenase, putative	0.055	0.646	0.646
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0122	0.1148	0.3785
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0264	0.2902	0.2902
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0098	0.0098
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0061	0.0388	0.0388
Loa Loa (eye worm)	cysteine protease	0.0061	0.0388	0.0388
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0036	0.0079	0.0079
Schistosoma mansoni	cathepsin F (C01 family)	0.0061	0.0388	0.0366
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0264	0.2902	0.2902
Plasmodium vivax	vivapain-2	0.0061	0.0388	0.06
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0122	0.1148	0.3785
Schistosoma mansoni	hypothetical protein	0.0453	0.5248	0.5237
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.0809	0.2744
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0023	0.0023
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0264	0.2902	0.2902
Echinococcus granulosus	cathepsin L	0.0031	0.0023	0.0023
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0264	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.055	0.646	0.646
Trypanosoma brucei	carbonic anhydrase-like protein	0.0836	1	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0264	0.2902	0.2902
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0765	0.0765
Echinococcus multilocularis	malate dehydrogenase	0.0256	0.2814	0.2814
Toxoplasma gondii	cathepsin CPL	0.0061	0.0388	0.06
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0036	0.0079	0.0079
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0031	0.0023	0.0023
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.0023	0.0035
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Plasmodium vivax	lactate dehydrogenase	0.055	0.646	1
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0256	0.2814	0.2814
Echinococcus granulosus	lactate dehydrogenase a	0.055	0.646	0.646
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0036	0.0079	0.0214
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0703	0.2379
Brugia malayi	cathepsin L-like precursor	0.0041	0.0139	0.0139
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0061	0.0388	0.0388
Brugia malayi	Cathepsin L-like precursor	0.0061	0.0388	0.0388
Schistosoma mansoni	cathepsin F (C01 family)	0.0041	0.0139	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0453	0.5248	0.5248
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0691	0.2336
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0086	0.0703	0.2379
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0691	0.2336
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Schistosoma mansoni	malate dehydrogenase	0.0264	0.2902	0.2886
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0836	1	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0031	0.0017	0.0017
Echinococcus granulosus	carbonic anhydrase	0.0453	0.5248	0.5248
Leishmania major	cathepsin L-like protease	0.0061	0.0388	0.0388
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.0139	0.0478
Schistosoma mansoni	lamin	0.0058	0.0349	0.0327
Chlamydia trachomatis	malate dehydrogenase	0.0264	0.2902	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0041	0.0139	0.0478
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0061	0.0388	0.06
Brugia malayi	Stress-activated protein kinase jnk-1	0.0557	0.6537	0.6537
Plasmodium vivax	acyl-CoA synthetase, putative	0.0091	0.0765	0.1184
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0036	0.0079	0.0214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0061	0.0388	0.1336
Brugia malayi	Cathepsin L-like precursor	0.0041	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0765	0.0765
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0036	0.0079	0.0214
Trichomonas vaginalis	antibiotic synthetase, putative	0.0036	0.0079	0.0271
Loa Loa (eye worm)	carbonic anhydrase 3	0.0836	1	1
Entamoeba histolytica	malate dehydrogenase, putative	0.0264	0.2902	0.4493
Trypanosoma cruzi	cysteine peptidase, putative	0.0061	0.0388	0.0388
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0098	0.0151
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0557	0.6537	0.6537
Brugia malayi	Papain family cysteine protease containing protein	0.0061	0.0388	0.0388
Schistosoma mansoni	carbonic anhydrase-related	0.0453	0.5248	0.5237
Echinococcus granulosus	malate dehydrogenase	0.0256	0.2814	0.2814
Echinococcus multilocularis	lactate dehydrogenase protein	0.055	0.646	0.646
Leishmania major	mitochondrial malate dehydrogenase	0.0256	0.2814	0.2814
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0237	0.2577	0.3989
Echinococcus multilocularis	carbonic anhydrase	0.0453	0.5248	0.5248
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0453	0.5248	0.5248
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0691	0.2336
Plasmodium vivax	vivapain-1	0.0031	0.0023	0.0035
Leishmania major	cysteine peptidase A (CPA)	0.0061	0.0388	0.0388
Plasmodium falciparum	carbonic anhydrase	0.0453	0.5248	0.8123
Entamoeba histolytica	cysteine proteinase, putative	0.0041	0.0139	0.0215
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0036	0.0079	0.0214
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0122	0.1148	0.3785
Plasmodium vivax	vivapain-3	0.0031	0.0023	0.0035
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.0079	0.0079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.016	0.1624	0.1624
Leishmania major	cathepsin L-like protease	0.016	0.1624	0.1624
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0256	0.2814	0.2814
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0036	0.0079	0.0079
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0036	0.0079	0.0079
Giardia lamblia	Malate dehydrogenase	0.0264	0.2902	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0139	0.0139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Leishmania major	cytosolic malate dehydrogenase	0.0264	0.2902	0.2902
Echinococcus granulosus	carbonic anhydrase II	0.0836	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336
Toxoplasma gondii	malate dehydrogenase MDH	0.055	0.646	1
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0036	0.0079	0.0122
Echinococcus multilocularis	lamin	0.0058	0.0349	0.0349
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0036	0.0079	0.0214
Entamoeba histolytica	cysteine proteinase 1, putative	0.0031	0.0023	0.0035
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0453	0.5248	0.5248
Onchocerca volvulus		0.0058	0.0349	0.2529
Echinococcus granulosus	lamin dm0	0.0058	0.0349	0.0349
Echinococcus granulosus	intermediate filament protein	0.0058	0.0349	0.0349
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Toxoplasma gondii	lactate dehydrogenase LDH2	0.055	0.646	1
Schistosoma mansoni	carbonic anhydrase-related	0.0453	0.5248	0.5237
Brugia malayi	Intermediate filament tail domain containing protein	0.0058	0.0349	0.0349
Brugia malayi	Thioredoxin reductase	0.0037	0.0098	0.0098
Entamoeba histolytica	cysteine proteinase 2	0.0031	0.0023	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0388	0.0388
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0061	0.0388	0.1336
Echinococcus granulosus	carbonic anhydrase	0.0453	0.5248	0.5248
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0036	0.0079	0.0079
Leishmania major	acetyl-CoA synthetase, putative	0.0036	0.0079	0.0079
Leishmania major	carbonic anhydrase-like protein	0.0836	1	1
Echinococcus multilocularis	lactate dehydrogenase a	0.055	0.646	0.646
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0264	0.2902	0.4493
Leishmania major	malate dehydrogenase	0.0256	0.2814	0.2814
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0264	0.2902	1
Mycobacterium ulcerans	hypothetical protein	0.0122	0.1148	0.3785
Trypanosoma cruzi	cruzipain precursor, putative	0.016	0.1624	0.1624
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0036	0.0079	0.0079
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Trichomonas vaginalis	malate dehydrogenase, putative	0.0264	0.2902	1
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.0023	0.0035
Entamoeba histolytica	cysteine protease, putative	0.0031	0.0023	0.0035
Echinococcus granulosus	cysteine protease	0.0031	0.0023	0.0023
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0264	0.2902	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0061	0.0388	0.1336

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.022 uM	Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay	ChEMBL.	21112785
IC50 (binding)	= 0.061 uM	Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay	ChEMBL.	21112785
IC50 (binding)	= 0.42 uM	Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay	ChEMBL.	21112785
IC50 (binding)	> 50 uM	Inhibition of recombinant ERK2 after 60 mins by TR-FRET assay	ChEMBL.	21112785
IC50 (binding)	> 50 uM	Inhibition of recombinant p38alpha 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: CHEMBL1644638

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1463967