TDR Targets

Basic information

Technical information

TDR Targets ID: 1421923
Name: 2-(4-chloro-2-prop-2-enylphenoxy)-N,N-dimethy lethanamine; oxalic acid
MW: 329.776 | Formula: C15H20ClNO5
H donors: 2 H acceptors: 4 LogP: 1.1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(=O)O.C=CCc1cc(Cl)ccc1OCCN(C)C
InChi: 1S/C13H18ClNO.C2H2O4/c1-4-5-11-10-12(14)6-7-13(11)16-9-8-15(2)3;3-1(4)2(5)6/h4,6-7,10H,1,5,8-9H2,2-3H3;(H,3,4)(H,5,6)
InChiKey: SUSAMACVZFLLFO-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

2-(2-allyl-4-chloro-phenoxy)-N,N-dimethyl-ethanamine; oxalic acid
2-(2-allyl-4-chlorophenoxy)-N,N-dimethylethanamine; oxalic acid
2-(2-allyl-4-chloro-phenoxy)ethyl-dimethyl-amine; oxalic acid
2-(4-chloro-2-prop-2-enyl-phenoxy)-N,N-dimethyl-ethanamine; ethanedioic acid
MLS000576772
SMR000198052
[2-(2-allyl-4-chlorophenoxy)ethyl]dimethylamine oxalate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed 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
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
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
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
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0117	0.1259	0.2716
Echinococcus multilocularis	zinc finger protein	0.0024	0.0068	0.0068
Trichomonas vaginalis	receptor histidine kinase, putative	0.0021	0.0038	0.4341
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0114	0.0246
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0029	0.0029
Toxoplasma gondii	heat shock protein 90, putative	0.0021	0.0038	0.0217
Trypanosoma cruzi	heat shock protein 90, putative	0.0021	0.0038	0.0082
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0021	0.0038	0.4341
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0021	0.0038	0.0082
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0021	0.0038	0.4341
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0025	0.0087	0.0188
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0207	0.2407	0.5138
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0026	0.0102	0.022
Leishmania major	hypothetical protein, conserved	0.0018	0.0002	0.0005
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.032	0.032
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.031	0.031
Trypanosoma brucei	ISWI complex protein	0.0018	0.0002	0.0005
Schistosoma mansoni	heat shock protein	0.0021	0.0038	0.0082
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0021	0.0038	0.5
Loa Loa (eye worm)	heat shock protein 90	0.0021	0.0038	0.0081
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0045	0.0339	0.0733
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0132	0.5303
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0021	0.0038	0.5
Brugia malayi	kinase, mitochondrial precursor	0.0382	0.4633	0.9892
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0021	0.0038	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0216	0.0465
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0216	0.046
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0021	0.0038	0.5
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.0134	0.1468	0.8443
Entamoeba histolytica	hypothetical protein	0.0117	0.1259	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0	0.0001
Brugia malayi	jmjC domain containing protein	0.0045	0.0339	0.0725
Schistosoma mansoni	hypothetical protein	0.0066	0.0602	0.13
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0021	0.0038	0.5
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0021	0.0038	0.0217
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0021	0.0038	0.5
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0087	1
Schistosoma mansoni	Smad4	0.0026	0.0102	0.022
Schistosoma mansoni	zinc finger protein	0.0024	0.0068	0.0147
Brugia malayi	heat shock protein 90	0.0021	0.0038	0.0081
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0021	0.0038	0.4341
Schistosoma mansoni	pyruvate dehydrogenase	0.0361	0.4363	0.9416
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0382	0.4633	1
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Brugia malayi	latrophilin 2 splice variant baaae	0.0142	0.1571	0.3355
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Brugia malayi	Probable DNA topoisomerase II	0.0021	0.0038	0.0081
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0216	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0602	0.1286
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0686	0.0686
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Brugia malayi	Endoplasmin precursor	0.0021	0.0038	0.0081
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.1023	0.2183
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0382	0.4633	0.4633
Schistosoma mansoni	hypothetical protein	0.0365	0.4422	0.9543
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0855	0.1826
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.0602	0.1286
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.1023	0.2183
Trypanosoma brucei	heat shock protein 90, putative	0.0021	0.0038	0.0082
Mycobacterium ulcerans	DNA gyrase subunit B	0.0021	0.0038	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0029	0.0064
Toxoplasma gondii	FATC domain-containing protein	0.0025	0.0087	0.05
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Schistosoma mansoni	hypothetical protein	0.0066	0.0602	0.13
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0029	0.0064
Mycobacterium leprae	Probable two-component sensor kinase	0.0021	0.0038	0.5
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0021	0.0038	0.0082
Schistosoma mansoni	smad	0.0026	0.0102	0.022
Trichomonas vaginalis	heat shock protein, putative	0.0021	0.0038	0.4341
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0021	0.0038	0.0082
Schistosoma mansoni	hypothetical protein	0.0066	0.0602	0.13
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0134	0.1468	0.3169
Brugia malayi	hypothetical protein	0.0029	0.0132	0.0282
Schistosoma mansoni	DNA topoisomerase II	0.0021	0.0038	0.0082
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0207	0.2407	0.5138
Echinococcus multilocularis	Smad4	0.0026	0.0102	0.0102
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0021	0.0038	0.0217
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0	0.0001
Echinococcus granulosus	mothers against decapentaplegic 5	0.0026	0.0102	0.022
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0155	0.1739	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0026	0.0102	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0042	0.009
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.0602	0.13
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0021	0.0038	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1571	0.3355
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0021	0.0038	0.5
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0216	0.0465
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0021	0.0038	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0045	0.0339	0.0733
Loa Loa (eye worm)	MH1 domain-containing protein	0.0026	0.0102	0.0218
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0216	0.124
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0021	0.0038	0.0082
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.032	0.0691
Brugia malayi	Bromodomain containing protein	0.0091	0.0921	0.1966
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.0602	0.13
Giardia lamblia	Pms1-like protein	0.0021	0.0038	0.1751
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.1023	0.2207
Echinococcus granulosus	Smad4	0.0026	0.0102	0.022
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0021	0.0038	0.5
Entamoeba histolytica	hypothetical protein	0.0117	0.1259	1
Echinococcus granulosus	serine protein kinase ATM	0.0025	0.0087	0.0188
Trypanosoma cruzi	Heat shock protein 83, putative	0.0021	0.0038	0.0082
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.0602	0.1286
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.1023	0.2207
Echinococcus granulosus	lysine specific demethylase 5A	0.0045	0.0339	0.0733
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0026	0.0102	0.0102
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0021	0.0038	0.4341
Trichomonas vaginalis	sensor histidine kinase, putative	0.0021	0.0038	0.4341
Echinococcus multilocularis	peregrin	0.0038	0.0252	0.0252
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0216	0.124
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0132	0.5303
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0038	0.0081
Onchocerca volvulus	Alhambra homolog	0.0035	0.0216	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0602	0.13
Brugia malayi	MH2 domain containing protein	0.0026	0.0102	0.0218
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0134	0.1468	0.3169
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0021	0.0038	0.4341
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0102	0.022
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0021	0.0038	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0132	0.0285
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Loa Loa (eye worm)	hypothetical protein	0.006	0.0536	0.1145
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0021	0.0038	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.1236	0.1236
Brugia malayi	Bromodomain containing protein	0.0038	0.0252	0.0538
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0132	0.076
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0021	0.0038	0.0217
Entamoeba histolytica	heat shock protein 90, putative	0.0021	0.0038	0.03
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0002	0.0005
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0021	0.0038	0.5
Echinococcus granulosus	heat shock protein	0.0021	0.0038	0.0082
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Echinococcus granulosus	heat shock protein 90	0.0021	0.0038	0.0082
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0026	0.0102	0.0102
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0021	0.0038	0.0082
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0686	0.148
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.0602	0.1286
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Schistosoma mansoni	pyruvate dehydrogenase	0.0382	0.4633	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0382	0.4633	1
Echinococcus granulosus	smad	0.0026	0.0102	0.022
Echinococcus multilocularis	smad	0.0026	0.0102	0.0102
Entamoeba histolytica	DNA topoisomerase II, putative	0.0021	0.0038	0.03
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0021	0.0038	0.5
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0087	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0394	0.0841
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0029	0.0064
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0114	0.0246
Trypanosoma cruzi	heat shock protein 85, putative	0.0021	0.0038	0.0082
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0021	0.0038	0.1751
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0391	0.0391
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0021	0.0038	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0029	0.0064
Loa Loa (eye worm)	transcription factor SMAD2	0.0386	0.4684	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0114	0.0114
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0021	0.0038	0.0082
Echinococcus granulosus	peregrin	0.0038	0.0252	0.0544
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0132	0.5303
Entamoeba histolytica	hypothetical protein	0.0025	0.0087	0.0691
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0025	0.0087	0.0188
Brugia malayi	Smad1	0.0026	0.0102	0.0218
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0102	0.022
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0207	0.2407	0.5138
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0026	0.0102	0.022
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0021	0.0038	0.4341
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0216	0.046
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.1023	0.2207
Echinococcus multilocularis	geminin	0.0365	0.4422	0.4422
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0029	0.0029
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Echinococcus granulosus	GPCR family 2	0.0066	0.0602	0.13
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.1023	0.1023
Entamoeba histolytica	hypothetical protein	0.0117	0.1259	1
Leishmania major	hypothetical protein, conserved	0.0021	0.0038	0.0082
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0021	0.0038	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0132	0.0285
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0085	0.0181
Schistosoma mansoni	heat shock protein	0.0021	0.0038	0.0082
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0117	0.1259	0.2716
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0391	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0382	0.4633	0.9892
Schistosoma mansoni	zinc finger protein	0.0018	0.0002	0.0005
Echinococcus multilocularis	heat shock protein 90	0.0021	0.0038	0.0038
Loa Loa (eye worm)	MH2 domain-containing protein	0.0386	0.4684	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.0602	0.0602
Brugia malayi	MH2 domain containing protein	0.0026	0.0102	0.0218
Brugia malayi	MH1 domain containing protein	0.0026	0.0102	0.0218
Echinococcus multilocularis	GPCR, family 2	0.0066	0.0602	0.0602
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0029	0.0064
Entamoeba histolytica	heat shock protein 90, putative	0.0021	0.0038	0.03
Brugia malayi	PHD-finger family protein	0.0035	0.0216	0.046
Brugia malayi	hypothetical protein	0.0117	0.1259	0.2687
Loa Loa (eye worm)	endoplasmin	0.0021	0.0038	0.0081
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.1236	0.2668
Leishmania major	mitochondrial DNA topoisomerase II	0.0021	0.0038	0.0082
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0934	0.2017
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0029	0.0063
Mycobacterium ulcerans	putative regultory protein	0.0021	0.0038	0.5
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0021	0.0038	0.5
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0382	0.4633	1
Trypanosoma brucei	heat shock protein, putative	0.0021	0.0038	0.0082
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0021	0.0038	0.0081
Brugia malayi	hypothetical protein	0.0018	0.0003	0.0006
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0021	0.0038	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0423	0.0904
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0021	0.0038	0.5
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Trichomonas vaginalis	receptor histidine kinase, putative	0.0021	0.0038	0.4341
Schistosoma mansoni	hypothetical protein	0.0035	0.0216	0.0465
Brugia malayi	MH1 domain containing protein	0.0026	0.0102	0.0218
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.1023	0.2207
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0134	0.1468	0.3169
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0021	0.0038	0.0038
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0021	0.0038	0.5
Trypanosoma cruzi	heat shock protein 85, putative	0.0021	0.0038	0.0082
Trichomonas vaginalis	heat shock protein, putative	0.0021	0.0038	0.4341
Mycobacterium ulcerans	two component sensor kinase MprB	0.0021	0.0038	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.0602	0.0602
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0216	1
Leishmania major	hypothetical protein, conserved	0.0029	0.0132	0.0285
Giardia lamblia	PHD finger protein 15	0.0035	0.0216	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0117	0.1259	0.1259
Schistosoma mansoni	endoplasmin	0.0021	0.0038	0.0082
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0021	0.0038	0.5
Brugia malayi	jmjC domain containing protein	0.0115	0.1236	0.2639
Chlamydia trachomatis	DNA gyrase subunit B	0.0021	0.0038	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0693	0.148
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0038	0.0081
Echinococcus multilocularis	serine protein kinase ATM	0.0025	0.0087	0.0087
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0029	0.0064
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0021	0.0038	0.0082
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Echinococcus granulosus	geminin	0.0365	0.4422	0.9543
Brugia malayi	PHD-finger family protein	0.003	0.015	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0132	0.0282
Echinococcus multilocularis	heat shock protein	0.0021	0.0038	0.0038
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0021	0.0038	0.5
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0021	0.0038	0.5
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Schistosoma mansoni	transcription factor LCR-F1	0.0117	0.1259	0.2716
Loa Loa (eye worm)	Smad1	0.0026	0.0102	0.0218
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0021	0.0038	0.5
Trypanosoma cruzi	ISWI complex protein	0.0018	0.0002	0.0005
Mycobacterium tuberculosis	Conserved protein	0.0021	0.0038	0.5
Entamoeba histolytica	hypothetical protein	0.0117	0.1259	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0025	0.0087	0.0186
Trypanosoma brucei	heat shock protein 90, putative	0.0021	0.0038	0.0082
Trypanosoma brucei	DNA topoisomerase ii	0.0021	0.0038	0.0082
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.1023	0.2207
Schistosoma mansoni	hypothetical protein	0.0018	0.0002	0.0005
Trypanosoma cruzi	heat shock protein 90, putative	0.0021	0.0038	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0207	0.2407	0.5138
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0021	0.0038	0.5
Schistosoma mansoni	pyruvate dehydrogenase	0.0361	0.4363	0.9416
Chlamydia trachomatis	DNA gyrase subunit B	0.0021	0.0038	0.5
Toxoplasma gondii	heat shock protein HSP90	0.0021	0.0038	0.0217
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0021	0.0038	0.5
Loa Loa (eye worm)	TOPoisomerase family member	0.0021	0.0038	0.0081
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0021	0.0038	0.5
Schistosoma mansoni	hypothetical protein	0.0365	0.4422	0.9543
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0216	0.0216
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0741	0.1599
Loa Loa (eye worm)	jmjC domain-containing protein	0.0045	0.0339	0.0725
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0021	0.0038	0.5
Leishmania major	DNA topoisomerase ii	0.0021	0.0038	0.0082
Trypanosoma brucei	Heat shock protein 83, putative	0.0021	0.0038	0.0082
Trichomonas vaginalis	endoplasmin, putative	0.0021	0.0038	0.4341
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0021	0.0038	0.5
Brugia malayi	MH2 domain containing protein	0.0386	0.4684	1
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0021	0.0038	0.5
Schistosoma mansoni	endoplasmin	0.0021	0.0038	0.0082
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0021	0.0038	0.5
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Trypanosoma cruzi	heat shock protein 85, putative	0.0021	0.0038	0.0082
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0382	0.4633	0.4633
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0357	0.0763
Leishmania major	heat shock protein 83-1	0.0021	0.0038	0.0082
Schistosoma mansoni	hypothetical protein	0.0025	0.0085	0.0182
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0132	0.0285
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.0042	0.0091
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.1023	0.1023
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0021	0.0038	0.5
Schistosoma mansoni	smad1 5 8 and	0.0026	0.0102	0.022
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0021	0.0038	0.0081
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0039	0.0083
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0021	0.0038	0.5
Echinococcus granulosus	zinc finger protein	0.0024	0.0068	0.0147
Schistosoma mansoni	hypothetical protein	0.0142	0.1571	0.3392
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0382	0.4633	1
Brugia malayi	Bromodomain containing protein	0.0046	0.0356	0.0761

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	157.41 uM	PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.2387 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)	4.1475 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)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1566533

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1421923