TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.431 | Formula: C23H21N3O4
H donors: 1 H acceptors: 2 LogP: 4.74 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=CNc1cc(cn2c1ncc2c1ccccc1)c1cc(OC)c(c(c1)OC)OC
InChi: 1S/C23H21N3O4/c1-28-20-10-16(11-21(29-2)22(20)30-3)17-9-18(25-14-27)23-24-12-19(26(23)13-17)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,25,27)
InChiKey: JMTKWMODGHXHGR-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	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.0436	0.0436
Loa Loa (eye worm)	TAR-binding protein	0.026	0.3511	1
Echinococcus granulosus	zinc finger protein	0.0021	0.0029	0.0029
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0405	0.0405
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1109	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0323	0.0921
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0075	0.0075
Brugia malayi	mbt repeat family protein	0.0047	0.0405	0.1153
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0243	0.0691
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1109	0.1109
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.0625	0.2987
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.1697	0.4835
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.0625	0.2987
Brugia malayi	RNA recognition motif domain containing protein	0.026	0.3511	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.026	0.3511	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0308	0.422	1
Trypanosoma brucei	trypanothione reductase	0.0048	0.0429	0.1016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1109	0.1109
Loa Loa (eye worm)	MBCTL1	0.0053	0.05	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0405	0.1153
Loa Loa (eye worm)	hypothetical protein	0.0046	0.039	0.1112
Echinococcus multilocularis	microtubule associated protein 2	0.0705	1	1
Plasmodium vivax	SET domain protein, putative	0.0031	0.0168	0.153
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.05	0.05
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0429	0.1221
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.05	0.05
Brugia malayi	Pre-SET motif family protein	0.0031	0.0168	0.0479
Entamoeba histolytica	hypothetical protein	0.0036	0.0247	0.5
Onchocerca volvulus		0.0243	0.3264	1
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0405	0.0405
Echinococcus granulosus	histone lysine methyltransferase setb	0.0049	0.0436	0.0436
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0354	0.0839
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.0625	0.0625
Brugia malayi	Bromodomain containing protein	0.0041	0.0322	0.0918
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.3264	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0168	0.0168
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1109	0.1109
Schistosoma mansoni	microtubule-associated protein tau	0.0705	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.05	0.1423
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.044	0.1254
Schistosoma mansoni	hypothetical protein	0.0022	0.0045	0.0045
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0185	0.2414	0.2414
Echinococcus granulosus	survival motor neuron protein 1	0.0241	0.3244	0.3244
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0123	0.1515	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0243	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0139	0.0396
Brugia malayi	TAR-binding protein	0.026	0.3511	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.044	0.044
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0243	0.0691
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1109	0.1109
Schistosoma mansoni	hypothetical protein	0.0036	0.0243	0.0243
Schistosoma mansoni	tar DNA-binding protein	0.026	0.3511	0.3511
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1099	0.313
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0152	0.0152
Brugia malayi	RNA binding protein	0.026	0.3511	1
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0405	0.0405
Brugia malayi	hypothetical protein	0.0029	0.0139	0.0396
Schistosoma mansoni	hypothetical protein	0.0036	0.0243	0.0243
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.1099	0.1099
Mycobacterium tuberculosis	Probable reductase	0.0111	0.1335	0.6383
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0493	0.1167
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1099	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.0429	0.1016
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.1851	0.4385
Brugia malayi	Thioredoxin reductase	0.0048	0.0429	0.1221
Schistosoma mansoni	hypothetical protein	0.0077	0.0847	0.0847
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0429	0.1221
Brugia malayi	Bromodomain containing protein	0.0081	0.0898	0.2557
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0045	0.0129
Echinococcus granulosus	GPCR family 2	0.0036	0.0243	0.0243
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0405	0.0405
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1109	0.1109
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.1099	0.6848
Leishmania major	hypothetical protein, conserved	0.0029	0.0139	0.0329
Schistosoma mansoni	tar DNA-binding protein	0.026	0.3511	0.3511
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0247	0.0247
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0139	0.1264
Mycobacterium ulcerans	hypothetical protein	0.0162	0.2091	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.05	0.05
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0247	0.0247
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0405	0.0405
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0243	0.0691
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.0847	0.2413
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.1851	0.4385
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.1109	0.316
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0139	0.0329
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0247	0.0247
Leishmania major	trypanothione reductase	0.0048	0.0429	0.1016
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.1368	0.3897
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0429	0.3902
Echinococcus multilocularis	tar DNA binding protein	0.026	0.3511	0.3511
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0658	0.0658
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0111	0.1335	0.6383
Brugia malayi	glutathione reductase	0.0048	0.0429	0.1221
Toxoplasma gondii	hypothetical protein	0.0033	0.0196	0.1786
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0308	0.422	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0168	0.0168
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.05	0.05
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0243	0.0243
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.0429	0.2051
Mycobacterium tuberculosis	Probable oxidoreductase	0.0123	0.1515	0.7243
Loa Loa (eye worm)	hypothetical protein	0.0113	0.1368	0.3897
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0139	0.1264
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0429	0.3902
Brugia malayi	mbt repeat family protein	0.0047	0.0405	0.1153
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0429	0.0429
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.1368	0.3897
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0354	0.0839
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.05	0.05
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.0625	0.0625
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0243	0.0243
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0354	0.0839
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0308	0.422	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.1099	0.1099
Schistosoma mansoni	hypothetical protein	0.0049	0.044	0.044
Brugia malayi	hypothetical protein	0.0241	0.3244	0.9239
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0111	0.1335	0.6383
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0405	0.1153
Schistosoma mansoni	hypothetical protein	0.0285	0.3875	0.3875
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.0625	0.3248
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0123	0.1515	0.7243
Plasmodium falciparum	thioredoxin reductase	0.0048	0.0429	0.3902
Brugia malayi	Probable ClpP-like protease	0.0094	0.1099	0.313
Entamoeba histolytica	hypothetical protein	0.0036	0.0247	0.5
Brugia malayi	Pre-SET motif family protein	0.0213	0.2834	0.8072
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0185	0.2414	0.2414
Schistosoma mansoni	hypothetical protein	0.0036	0.0243	0.0243
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.1851	0.4385
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0285	0.0285
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0429	0.3902
Schistosoma mansoni	tar DNA-binding protein	0.026	0.3511	0.3511
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0075	0.0075
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.1109	0.316
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0847	0.2413
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0033	0.0196	0.1786
Schistosoma mansoni	bromodomain containing protein	0.0068	0.0714	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0361	0.1027
Schistosoma mansoni	tar DNA-binding protein	0.026	0.3511	0.3511
Onchocerca volvulus		0.0049	0.044	0.0879
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.1368	0.3897
Schistosoma mansoni	zinc finger protein	0.0021	0.0029	0.0029
Entamoeba histolytica	hypothetical protein	0.0036	0.0247	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1099	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0111	0.1335	0.6383
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1099	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1109	0.1109
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0243	0.0243
Brugia malayi	MH2 domain containing protein	0.0135	0.1697	0.4835
Echinococcus granulosus	tar DNA binding protein	0.026	0.3511	0.3511
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0075	0.0075
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0243	0.0691
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0436	0.1241
Entamoeba histolytica	hypothetical protein	0.0036	0.0247	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.0241	0.3244	0.3244
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0405	0.0765
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1099	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0033	0.0196	0.1786
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0162	0.2091	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.1099	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0139	0.1264
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.1697	0.4835
Schistosoma mansoni	hypothetical protein	0.0036	0.0247	0.0247
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0243	0.0243
Brugia malayi	PHD-finger family protein	0.0027	0.0112	0.032
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0139	0.0329
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0139	0.0329
Schistosoma mansoni	tar DNA-binding protein	0.026	0.3511	0.3511
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1099	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.1099	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0243	0.0243
Leishmania major	mitochondrial DNA polymerase beta	0.0308	0.422	1
Loa Loa (eye worm)	RNA binding protein	0.026	0.3511	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0354	0.0839
Echinococcus multilocularis	zinc finger protein	0.0021	0.0029	0.0029
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0285	0.0285
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0429	0.0429
Mycobacterium tuberculosis	Probable dehydrogenase	0.0111	0.1335	0.6383
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.1099	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0111	0.1335	0.8635
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0168	0.153
Toxoplasma gondii	hypothetical protein	0.005	0.0447	0.407
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0139	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3244	0.9239
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0049	0.0436	0.0436
Onchocerca volvulus		0.0047	0.0405	0.0765
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2834	0.8072
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.0436	0.0436
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0831	0.2366
Brugia malayi	hypothetical protein	0.0036	0.0247	0.0702
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.1099	0.1099
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.05	0.1423
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0405	0.0405
Plasmodium falciparum	glutathione reductase	0.0048	0.0429	0.3902
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0111	0.1335	0.6383
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0123	0.1515	0.7243
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0658	0.0658

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 89.222 uM	PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for biased ligands (agonists) of the melanocortin 4 receptor (MC4R). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.581 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	23.7781 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1872827

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1131032