TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.447 | Formula: C23H23N3O3
H donors: 1 H acceptors: 2 LogP: 3.61 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCC(=O)Nc1ccc2c(c1)c(=O)n(n2c1ccc2c(c1)cccc2)C
InChi: 1S/C23H23N3O3/c1-3-29-13-12-22(27)24-18-9-11-21-20(15-18)23(28)25(2)26(21)19-10-8-16-6-4-5-7-17(16)14-19/h4-11,14-15H,3,12-13H2,1-2H3,(H,24,27)
InChiKey: BMJHTFBDSDCMOQ-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	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:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	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
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	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
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	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
Trypanosoma congolense	isocitrate dehydrogenase, 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
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	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
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	isocitrate dehydrogenase	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
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	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
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	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
Toxoplasma gondii	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
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	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
Brugia malayi	Isocitrate dehydrogenase	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
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	heat shock protein 85, putative	0.0063	0.0198	0.0392
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0063	0.0198	0.0225
Brugia malayi	hypothetical protein	0.0182	0.0678	0.3708
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0181	0.0204
Brugia malayi	intermediate filament protein	0.0026	0.005	0.0267
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Plasmodium vivax	DNA topoisomerase II, putative	0.0468	0.1827	0.2267
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0097	0.0098
Schistosoma mansoni	heat shock protein	0.0063	0.0198	0.1083
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0022	0.0119
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0181	0.0992
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Trypanosoma cruzi	Heat shock protein 83, putative	0.0063	0.0198	0.0392
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0468	0.1827	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0097	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0048	0.0256
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0063	0.0198	0.0993
Echinococcus multilocularis	lamin dm0	0.0026	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0678	0.3708
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Trichomonas vaginalis	receptor histidine kinase, putative	0.0063	0.0198	0.0993
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1159	0.4598	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0133	0.0719
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0468	0.1827	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0022	0.0008
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0022	0.0119
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Echinococcus granulosus	heat shock protein 90	0.0063	0.0198	0.1083
Schistosoma mansoni	ap endonuclease	0.0018	0.0018	0.01
Brugia malayi	DNA topoisomerase III	0.0143	0.0521	0.2846
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0022	0.0119
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0143	0.0521	0.2851
Trypanosoma brucei	Heat shock protein 83, putative	0.0063	0.0198	0.0392
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0097	0.0529
Schistosoma mansoni	hypothetical protein	0.0019	0.0022	0.0119
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0022	0.0022
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0063	0.0198	0.0392
Loa Loa (eye worm)	hypothetical protein	0.006	0.0187	0.1017
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0061	0.0335
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0085	0.0085
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0063	0.0198	0.0993
Trichomonas vaginalis	endoplasmin, putative	0.0063	0.0198	0.0993
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0018	0.0093
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0022	0.0008
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0097	0.0433
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0181	0.0204
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0097	0.0171
Entamoeba histolytica	hypothetical protein	0.0035	0.0085	0.0369
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.011	0.0598
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0143	0.0521	0.2851
Schistosoma mansoni	hypothetical protein	0.0047	0.0133	0.0726
Chlamydia trachomatis	DNA topoisomerase I	0.0143	0.0521	0.0414
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0063	0.0198	0.0392
Loa Loa (eye worm)	heat shock protein 90	0.0063	0.0198	0.1076
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0063	0.0198	0.0225
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0022	0.0022
Leishmania major	hypothetical protein, conserved	0.0063	0.0198	0.0392
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0142	0.0779
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0097	0.0171
Mycobacterium ulcerans	two component sensor kinase MprB	0.0063	0.0198	0.0225
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0063	0.0198	0.0225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0142	0.0779
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0063	0.0198	0.0225
Leishmania major	DNA topoisomerase 1A	0.0143	0.0521	0.1097
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0057	0.0312
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.0866	0.4687
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0085	0.0465
Plasmodium vivax	endoplasmin, putative	0.0063	0.0198	0.0225
Toxoplasma gondii	DNA topoisomerase family protein	0.0143	0.0521	0.1097
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0067	0.0062
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0142	0.0779
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0097	0.0529
Treponema pallidum	DNA topoisomerase I (topA)	0.0143	0.0521	0.063
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0022	0.0112
Plasmodium falciparum	DNA topoisomerase 2	0.0468	0.1827	0.2267
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.0754	0.4124
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0097	0.0098
Mycobacterium ulcerans	DNA gyrase subunit B	0.2004	0.7996	1
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0063	0.0198	0.0386
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0097	0.0098
Onchocerca volvulus		0.0052	0.0155	0.059
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0061	0.0335
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0468	0.1827	1
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0063	0.0198	0.0225
Trichomonas vaginalis	heat shock protein, putative	0.0063	0.0198	0.0993
Mycobacterium leprae	Probable two-component sensor kinase	0.0063	0.0198	0.0386
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0063	0.0198	0.0225
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0097	0.0098
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0097	0.0433
Giardia lamblia	DNA topoisomerase III	0.0143	0.0521	0.323
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0061	0.0335
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0181	0.0204
Echinococcus granulosus	heat shock protein	0.0063	0.0198	0.1083
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0142	0.0772
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0097	0.0433
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Schistosoma mansoni	hypothetical protein	0.0019	0.0022	0.0119
Trichomonas vaginalis	receptor histidine kinase, putative	0.0063	0.0198	0.0993
Brugia malayi	hypothetical protein	0.002	0.0024	0.0125
Plasmodium vivax	DNA topoisomerase 3, putative	0.0143	0.0521	0.063
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0181	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0155	0.0841
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0063	0.0198	0.0225
Brugia malayi	Pre-SET motif family protein	0.0201	0.0754	0.4124
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Plasmodium falciparum	heat shock protein 90	0.0063	0.0198	0.0225
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0022	0.0112
Giardia lamblia	DNA topoisomerase III	0.0143	0.0521	0.323
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0063	0.0198	0.0198
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0022	0.0022
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0063	0.0198	0.0225
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.005	0.0267
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0063	0.0198	0.0225
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0097	0.0433
Toxoplasma gondii	heat shock protein HSP90	0.0063	0.0198	0.0392
Schistosoma mansoni	intermediate filament proteins	0.0026	0.005	0.0274
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0063	0.0198	0.0225
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0181	0.0992
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Toxoplasma gondii	ABC1 family protein	0.0038	0.0097	0.0171
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0143	0.0521	0.1097
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0143	0.0521	0.063
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0063	0.0198	0.0225
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0097	0.0098
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0019	0.0022	0.0004
Brugia malayi	DNA topoisomerase III beta-1	0.0143	0.0521	0.2846
Schistosoma mansoni	pyruvate dehydrogenase	0.0063	0.0198	0.1083
Onchocerca volvulus		0.0182	0.0678	0.3535
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Onchocerca volvulus		0.0029	0.0061	0.0063
Plasmodium falciparum	DNA topoisomerase VI, b subunit, putative	0.0063	0.0198	0.0225
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0468	0.1827	1
Trypanosoma brucei	heat shock protein 90, putative	0.0063	0.0198	0.0392
Echinococcus granulosus	tumor protein p63	0.0357	0.1378	0.7543
Plasmodium vivax	heat shock protein 86, putative	0.0063	0.0198	0.0225
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0468	0.1827	1
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.069	0.2717	1
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0067	0.0107
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0061	0.0335
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0063	0.0198	0.1083
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Brugia malayi	Endoplasmin precursor	0.0063	0.0198	0.1076
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1159	0.4598	1
Entamoeba histolytica	DNA topoisomerase III, putative	0.0143	0.0521	0.2779
Echinococcus granulosus	intermediate filament protein	0.0026	0.005	0.0274
Schistosoma mansoni	lamin	0.0026	0.005	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0522
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0063	0.0198	0.0225
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0063	0.0198	0.0225
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0022	0.0112
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0067	0.0062
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0097	0.0098
Trypanosoma cruzi	heat shock protein 85, putative	0.0063	0.0198	0.0392
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0063	0.0198	0.0225
Entamoeba histolytica	hypothetical protein	0.0035	0.0085	0.0369
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0143	0.0521	0.2779
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0067	0.0107
Trypanosoma brucei	heat shock protein 90, putative	0.0063	0.0198	0.0392
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0522
Mycobacterium ulcerans	putative regultory protein	0.0063	0.0198	0.0225
Leishmania major	mitochondrial DNA topoisomerase II	0.1159	0.4598	1
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0063	0.0198	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0522
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0063	0.0198	0.0392
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0325	0.1251	0.2692
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0198	0.1076
Schistosoma mansoni	hypothetical protein	0.0035	0.0085	0.0465
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0063	0.0198	0.0225
Echinococcus multilocularis	heat shock protein	0.0063	0.0198	0.0198
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.005	0.0267
Brugia malayi	beta-lactamase family protein	0.0038	0.0097	0.0522
Echinococcus granulosus	GPCR family 2	0.0019	0.0022	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0112
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0063	0.0198	0.0225
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0067	0.0107
Trypanosoma brucei	DNA topoisomerase ii	0.1159	0.4598	1
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0063	0.0198	0.0225
Trypanosoma cruzi	heat shock protein 85, putative	0.0063	0.0198	0.0392
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.0864	0.4731
Echinococcus granulosus	lamin	0.0026	0.005	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0522
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0133	0.0726
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0019	0.0022	0.0008
Trichomonas vaginalis	esterase, putative	0.0038	0.0097	0.0433
Leishmania major	hypothetical protein, conserved	0.0038	0.0097	0.0171
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0097	0.0171
Brugia malayi	beta-lactamase family protein	0.0038	0.0097	0.0522
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0063	0.0198	0.0225
Trypanosoma cruzi	heat shock protein 90, putative	0.0063	0.0198	0.0392
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0063	0.0198	0.0993
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0181	0.0181
Brugia malayi	hypothetical protein	0.003	0.0067	0.0362
Plasmodium vivax	SET domain protein, putative	0.0029	0.0061	0.0054
Brugia malayi	hypothetical protein	0.0035	0.0085	0.0458
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0143	0.0521	0.1097
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0063	0.0198	0.0386
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0097	0.0522
Loa Loa (eye worm)	DNA topoisomerase III	0.0143	0.0521	0.2846
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0022	0.0008
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0097	0.0098
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0468	0.1827	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0522
Trypanosoma cruzi	heat shock protein 90, putative	0.0063	0.0198	0.0392
Brugia malayi	Pre-SET motif family protein	0.0029	0.0061	0.0328
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0325	0.1251	0.2692
Plasmodium falciparum	DNA gyrase subunit B	0.2004	0.7996	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.0864	0.0864
Mycobacterium ulcerans	DNA topoisomerase I	0.0143	0.0521	0.063
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0142	0.0779
Schistosoma mansoni	hypothetical protein	0.0019	0.0022	0.0119
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0022	0.0119
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0063	0.0198	0.0392
Echinococcus multilocularis	tumor protein p63	0.0357	0.1378	0.1378
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0325	0.1251	0.2692
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0468	0.1827	1
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.2004	0.7996	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0018	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0026	0.005	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0864	0.4727
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.2004	0.7996	1
Onchocerca volvulus		0.0038	0.0097	0.0262
Chlamydia trachomatis	DNA gyrase subunit B	0.1314	0.5224	0.6446
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.2004	0.7996	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0097	0.0433
Trypanosoma brucei	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0187	0.1017
Echinococcus granulosus	lamin dm0	0.0026	0.005	0.0274
Brugia malayi	beta-lactamase	0.0038	0.0097	0.0522
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0063	0.0198	0.0993
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0085	0.0465
Leishmania major	hypothetical protein, conserved	0.003	0.0067	0.0107
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.1159	0.4598	1
Schistosoma mansoni	heat shock protein	0.0063	0.0198	0.1083
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0022	0.0022
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0097	0.0529
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0097	0.0098
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0468	0.1827	0.1827
Toxoplasma gondii	heat shock protein 90, putative	0.0063	0.0198	0.0392
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0142	0.0772
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0097	0.0522
Schistosoma mansoni	endoplasmin	0.0063	0.0198	0.1083
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0097	0.0098
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0325	0.1251	0.2692
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0097	0.0098
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0142	0.0779
Brugia malayi	heat shock protein 90	0.0063	0.0198	0.1076
Giardia lamblia	DNA topoisomerase II	0.0406	0.1574	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0061	0.0094
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0063	0.0198	0.0225
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.0198	0.0225
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0022	0.0112
Onchocerca volvulus		0.0143	0.0521	0.265
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0063	0.0198	0.0392
Entamoeba histolytica	DNA topoisomerase II, putative	0.0468	0.1827	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0181	0.0992
Onchocerca volvulus		0.0229	0.0866	0.4592
Brugia malayi	kinase, mitochondrial precursor	0.0063	0.0198	0.1076
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0097	0.0098
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0097	0.0098
Echinococcus multilocularis	rho GTPase activating protein 20	0.0143	0.0521	0.0521
Brugia malayi	GRF zinc finger family protein	0.0143	0.0521	0.2846
Loa Loa (eye worm)	hypothetical protein	0.003	0.0067	0.0362
Leishmania major	DNA topoisomerase ii	0.0325	0.1251	0.2692
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0468	0.1827	0.3948
Brugia malayi	hypothetical protein	0.0229	0.0864	0.4727
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0181	0.0204
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0063	0.0198	0.1154
Entamoeba histolytica	hypothetical protein	0.0035	0.0085	0.0369
Echinococcus multilocularis	lamin	0.0026	0.005	0.005
Plasmodium vivax	DNA gyrase subunit B, putative	0.2004	0.7996	1
Onchocerca volvulus		0.0047	0.0133	0.0465
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0097	0.0098
Mycobacterium tuberculosis	Conserved protein	0.0063	0.0198	0.0225
Loa Loa (eye worm)	endoplasmin	0.0063	0.0198	0.1076
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0143	0.0521	0.2779
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0143	0.0521	0.1619
Plasmodium falciparum	endoplasmin, putative	0.0063	0.0198	0.0225
Loa Loa (eye worm)	TOPoisomerase family member	0.0468	0.1827	1
Chlamydia trachomatis	DNA gyrase subunit B	0.2004	0.7996	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0018	0.01
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0187	0.1017
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0142	0.0142
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0155	0.0848
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0063	0.0198	0.0392
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0524	0.2865
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1251	0.6847
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0097	0.0098
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0063	0.0198	0.0225
Mycobacterium ulcerans	lipase LipD	0.0038	0.0097	0.0098
Entamoeba histolytica	heat shock protein 90, putative	0.0063	0.0198	0.0993
Entamoeba histolytica	DNA topoisomerase III, putative	0.0143	0.0521	0.2779
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0524	0.2865
Loa Loa (eye worm)	hypothetical protein	0.0041	0.011	0.0598
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0061	0.0335
Onchocerca volvulus		0.0038	0.0097	0.0262
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.0913	0.1121
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0019	0.0022	0.0004
Entamoeba histolytica	hypothetical protein	0.0035	0.0085	0.0369
Schistosoma mansoni	ap endonuclease	0.0018	0.0018	0.01
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0061	0.0061
Leishmania major	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0063	0.0198	0.0198
Toxoplasma gondii	isocitrate dehydrogenase	0.0019	0.0022	0.0008
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0143	0.0521	0.1097
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0143	0.0521	0.1097
Schistosoma mansoni	lamin	0.0026	0.005	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1251	0.6847
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0143	0.0521	0.2851
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0063	0.0198	0.0225
Onchocerca volvulus		0.0038	0.0097	0.0262
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0022	0.0022
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0063	0.0198	0.0392
Entamoeba histolytica	heat shock protein 90, putative	0.0063	0.0198	0.0993
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0063	0.0198	0.0993
Echinococcus multilocularis	musashi	0.0026	0.005	0.005
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0097	0.0097
Schistosoma mansoni	DNA topoisomerase II	0.0468	0.1827	1
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0063	0.0198	0.0225
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0022	0.0022
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0022	0.0112
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0187	0.1017
Schistosoma mansoni	hypothetical protein	0.0019	0.0022	0.0119
Echinococcus multilocularis	heat shock protein 90	0.0063	0.0198	0.0198
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0143	0.0521	0.063
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0061	0.0061
Schistosoma mansoni	endoplasmin	0.0063	0.0198	0.1083
Trypanosoma brucei	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0097	0.0098
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.005	0.0267
Trichomonas vaginalis	heat shock protein, putative	0.0063	0.0198	0.0993
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0097	0.0522
Schistosoma mansoni	hypothetical protein	0.0041	0.011	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0061	0.0328
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0143	0.0521	0.0521
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0067	0.0107
Trichomonas vaginalis	sensor histidine kinase, putative	0.0063	0.0198	0.0993
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0022	0.0022
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0019	0.0022	0.0008
Leishmania major	heat shock protein 83-1	0.0063	0.0198	0.0392
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0019	0.0022	0.0004
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0067	0.0062
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0063	0.0198	0.0225
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0019	0.0022	0.0008
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0063	0.0198	0.0225
Giardia lamblia	Pms1-like protein	0.0063	0.0198	0.1154
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0143	0.0521	0.2851
Brugia malayi	MH2 domain containing protein	0.0144	0.0524	0.2865
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0181	0.0356
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0022	0.0112
Brugia malayi	Probable DNA topoisomerase II	0.0468	0.1827	1
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0143	0.0521	0.2846
Leishmania major	DNA topoisomerase III, putative	0.0143	0.0521	0.1097
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0142	0.0142
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0018	0.0018
Trypanosoma brucei	heat shock protein, putative	0.0063	0.0198	0.0392
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0022	0.0022

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.631 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.7079 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.3109 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)	3.9811 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

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: CHEMBL1872425

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1127256