TDR Targets

Basic information

Technical information

TDR Targets ID: 1472456
Name: MLS000039875
MW: 329.846 | Formula: C14H20ClN3O2S
H donors: 1 H acceptors: 1 LogP: 2.38 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCC1(C)OCc2c(C1)c1c(s2)nc(n(c1=O)C)NC.Cl
InChi: 1S/C14H19N3O2S.ClH/c1-5-14(2)6-8-9(7-19-14)20-11-10(8)12(18)17(4)13(15-3)16-11;/h5-7H2,1-4H3,(H,15,16);1H
InChiKey: HMMOBZRDUHDGBR-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

SMR000058024

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium falciparum	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Mycobacterium ulcerans	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
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	peptidase Clp (S14 family)	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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	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
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
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %
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 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.0335	0.6343
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0177	0.1633	0.1633
Brugia malayi	Cytochrome P450 family protein	0.0031	0.0106	0.0639
Toxoplasma gondii	aldehyde dehydrogenase	0.0074	0.0552	0.6889
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1375	0.2443
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.015	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0074	0.0132
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.015	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1567	0.2784
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.015	0.1097
Leishmania major	cathepsin L-like protease	0.0067	0.0485	0.8595
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0061	0.0424	0.8518
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0028	0.0074	0.0965
Echinococcus granulosus	small conductance calcium activated potassium	0.056	0.563	0.763
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0768	1
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0028	0.0074	0.0074
Echinococcus granulosus	biogenic amine 5HT receptor	0.0153	0.1375	0.1864
Echinococcus multilocularis	phd:f box containing protein	0.0028	0.0074	0.0074
Loa Loa (eye worm)	jmjC domain-containing protein	0.0028	0.0074	0.0132
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.0106	0.0189
Schistosoma mansoni	calcium-activated potassium channel	0.0362	0.3556	0.4819
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.0106	0.0189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Echinococcus granulosus	microtubule associated protein 2	0.0728	0.7378	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	1
Loa Loa (eye worm)	hypothetical protein	0.056	0.563	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.056	0.563	0.563
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.0768	0.0768
Brugia malayi	jmjC domain containing protein	0.0028	0.0074	0.0445
Echinococcus multilocularis	serotonin receptor	0.0153	0.1375	0.1375
Loa Loa (eye worm)	hypothetical protein	0.0035	0.015	0.0267
Brugia malayi	Bromodomain containing protein	0.0035	0.015	0.0903
Echinococcus granulosus	lysine specific demethylase 5A	0.0105	0.0875	0.1186
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0028	0.0074	0.0101
Giardia lamblia	PHD finger protein 15	0.0035	0.015	0.5
Echinococcus multilocularis	lysine specific demethylase 6a	0.0028	0.0074	0.0074
Echinococcus granulosus	JmjC domain containing protein 4	0.0028	0.0074	0.0101
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0074	0.0552	0.0749
Schistosoma mansoni	aldehyde dehydrogenase	0.0074	0.0552	0.0749
Brugia malayi	Cytochrome P450 family protein	0.0061	0.0415	0.2495
Schistosoma mansoni	amine GPCR	0.0396	0.3915	0.5307
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1665	0.1665
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.0768	0.1041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0359	0.0487
Schistosoma mansoni	protein phosphatase 2C	0.0028	0.0074	0.0101
Loa Loa (eye worm)	jmjC domain-containing protein	0.0105	0.0875	0.1554
Echinococcus granulosus	jumonji domain containing 1A	0.0028	0.0074	0.0101
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0359	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0768	0.1365
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0485	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0074	0.0132
Loa Loa (eye worm)	CYP4Cod1	0.0031	0.0106	0.0189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0058	0.0391	0.0391
Brugia malayi	jmjC domain containing protein	0.0028	0.0074	0.0445
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.0768	1
Echinococcus granulosus	peregrin	0.0035	0.015	0.0204
Brugia malayi	jmjC domain containing protein	0.0177	0.1633	0.981
Loa Loa (eye worm)	jmjC domain-containing protein	0.0028	0.0074	0.0132
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0485	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0028	0.0074	0.0132
Loa Loa (eye worm)	hypothetical protein	0.018	0.1665	0.2958
Schistosoma mansoni	hypothetical protein	0.0035	0.015	0.0204
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0153	0.1375	0.1864
Echinococcus multilocularis	serotonin receptor	0.0153	0.1375	0.1375
Echinococcus granulosus	phd:f box containing protein	0.0028	0.0074	0.0101
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	0.5
Leishmania major	cathepsin L-like protease	0.0067	0.0485	0.8595
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Brugia malayi	jmjC domain containing protein	0.0028	0.0074	0.0445
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0177	0.1633	0.2214
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0541	0.0962
Schistosoma mansoni	phd/f-box containing protein	0.0028	0.0074	0.0101
Schistosoma mansoni	phosphatidylserine receptor	0.0028	0.0074	0.0101
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0359	0.0359
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Echinococcus multilocularis	muscleblind protein	0.018	0.1665	0.1665
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.015	0.1097
Onchocerca volvulus	Alhambra homolog	0.0035	0.015	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0074	0.0552	0.6737
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0074	0.0552	0.6737
Echinococcus multilocularis	jumonji domain containing 1A	0.0028	0.0074	0.0074
Brugia malayi	Muscleblind-like protein	0.018	0.1665	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	1
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0294	0.0294
Toxoplasma gondii	hypothetical protein	0.0033	0.0122	0.0696
Brugia malayi	jmjC domain containing protein	0.0028	0.0074	0.0445
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.015	0.015
Leishmania major	cytochrome p450-like protein	0.0031	0.0106	0.0674
Brugia malayi	PHD-finger family protein	0.0035	0.015	0.0903
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0074	0.0552	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0485	1
Echinococcus multilocularis	peregrin	0.0035	0.015	0.015
Trypanosoma cruzi	cytochrome P450, putative	0.0031	0.0106	0.0785
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0105	0.0875	0.1186
Loa Loa (eye worm)	hypothetical protein	0.018	0.1665	0.2958
Schistosoma mansoni	aldehyde dehydrogenase	0.0074	0.0552	0.0749
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.015	0.0204
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0294	0.0399
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0768	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Brugia malayi	Cytochrome P450 family protein	0.0031	0.0106	0.0639
Schistosoma mansoni	jumonji domain containing protein	0.0154	0.1386	0.1879
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.0429	0.0581
Schistosoma mansoni	microtubule-associated protein tau	0.0728	0.7378	1
Brugia malayi	Probable ClpP-like protease	0.0094	0.0768	0.4614
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.0429	0.4744
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	1
Schistosoma mansoni	calcium-activated potassium channel	0.056	0.563	0.763
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.0429	0.0429
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0359	0.0359
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0033	0.0122	0.1594
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0585	0.104
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0033	0.0122	0.1594
Echinococcus granulosus	muscleblind protein	0.018	0.1665	0.2257
Plasmodium vivax	JmjC domain containing protein	0.0028	0.0074	0.0965
Loa Loa (eye worm)	cytochrome P450 family protein	0.0061	0.0415	0.0738
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.015	0.0204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0359	0.0487
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0058	0.0391	0.0529
Schistosoma mansoni	jumonji domain containing protein	0.0028	0.0074	0.0101
Trypanosoma cruzi	cytochrome P450, putative	0.0031	0.0106	0.0785
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0359	0.0487
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0074	0.0552	0.0552
Leishmania major	cathepsin L-like protease	0.0067	0.0485	0.8595
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0768	0.5
Echinococcus granulosus	lysine specific demethylase 6a	0.0028	0.0074	0.0101
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0074	0.0552	0.6737
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1771	0.3146
Brugia malayi	jmjC domain containing protein	0.0105	0.0875	0.5255
Trypanosoma brucei	cytochrome P450, putative	0.0031	0.0106	0.0785
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0359	0.2158
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0359	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1375	0.2443
Echinococcus multilocularis	JmjC domain containing protein 4	0.0028	0.0074	0.0074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0485	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0359	0.0487
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0105	0.0875	0.1186
Plasmodium falciparum	phd finger protein, putative	0.0035	0.015	0.1957
Schistosoma mansoni	hypothetical protein	0.056	0.563	0.763
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0485	1
Schistosoma mansoni	lipoxygenase	0.0058	0.0391	0.0529
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.0768	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.0768	0.1041
Echinococcus multilocularis	microtubule associated protein 2	0.0728	0.7378	0.7378
Echinococcus multilocularis	lysine specific demethylase 5A	0.0105	0.0875	0.0875
Loa Loa (eye worm)	hypothetical protein	0.018	0.1664	0.2955
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0028	0.0074	0.0101
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0074	0.0552	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.0323 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	15.8489 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (binding)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 63.0957 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Saccharomyces cerevisiae	ChEMBL23
Plasmodium falciparum	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: CHEMBL1516888

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1472456