TDR Targets

Basic information

Technical information

TDR Targets ID: 1241448
Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2 -yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)aceta mide
MW: 459.558 | Formula: C23H29N3O5S
H donors: 1 H acceptors: 3 LogP: 2.27 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2CN(CCc2cc1OC)CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
InChi: 1S/C23H29N3O5S/c1-30-21-13-17-9-12-25(15-18(17)14-22(21)31-2)16-23(27)24-19-5-7-20(8-6-19)32(28,29)26-10-3-4-11-26/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3,(H,24,27)
InChiKey: AZPKMAINDPQSJY-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-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-1-pyrrolidinylsulfonylphenyl)acetamide
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	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

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
Echinococcus multilocularis	cAMP dependent protein kinase type II regulatory	0.0004	0.0001	0.0001
Echinococcus multilocularis	cpg binding protein	0.0032	0.0238	0.0283
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Plasmodium vivax	rap guanine nucleotide exchange factor, putative	0.0004	0.0001	0.0035
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0134	0.0274
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0575	0.491	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0575	0.491	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0369	0.0752
Echinococcus granulosus	patatin phospholipase domain containing protein	0.0004	0.0001	0.0002
Plasmodium falciparum	cAMP-dependent protein kinase regulatory subunit	0.0004	0.0001	0.0004
Leishmania major	carbonic anhydrase-like protein	0.0575	0.491	1
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.0004	0.0001	0.0002
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0046	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0046	0.0093
Toxoplasma gondii	hypothetical protein	0.0285	0.242	1
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0034	0.0257	0.0256
Schistosoma mansoni	carbonic anhydrase	0.0288	0.2448	0.4986
Echinococcus granulosus	hyperpolarization activated cyclic	0.0004	0.0001	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0046	0.0054
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0004	0.0001	0.0002
Schistosoma mansoni	carbonic anhydrase-related	0.0285	0.242	0.493
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.002	0.0134	0.0549
Trypanosoma cruzi	hypothetical protein	0.0007	0.0023	0.0046
Leishmania major	protein kinase, putative	0.0004	0.0001	0.0002
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0004	0.0001	0.0002
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0004	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0001	0.0002
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.0004	0.0001	0.0004
Mycobacterium tuberculosis	Conserved protein	0.0004	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0285	0.242	0.493
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0369	0.0752
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0007	0.0023	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Onchocerca volvulus		0.0004	0.0001	0.0005
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0007	0.0023	0.0023
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0034	0.0257	0.1063
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0004	0.0001	0.0002
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.0004	0.0001	0.0002
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0134	0.0274
Plasmodium vivax	sulfate transporter, putative	0.0034	0.0257	1
Schistosoma mansoni	carbonic anhydrase-related	0.0285	0.242	0.493
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0004	0.0001	0.0004
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0004	0.0001	0.0004
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0285	0.242	0.493
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0004	0.0001	0.0002
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0023	0.0046
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0399	0.3402	0.3921
Schistosoma mansoni	camp-dependent protein kinase type II-alpha regulatory subunit	0.0004	0.0001	0.0002
Echinococcus multilocularis	son of sevenless 1	0.0007	0.0023	0.0027
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0046	0.0093
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0369	0.044
Trypanosoma cruzi	cAMP response protein 1, putative	0.0004	0.0001	0.0002
Treponema pallidum	catabolite gene activator	0.0004	0.0001	0.0067
Brugia malayi	hypothetical protein	0.0009	0.0046	0.0093
Leishmania major	carbonic anhydrase family protein, putative	0.0288	0.2448	0.4986
Trichomonas vaginalis	conserved hypothetical protein	0.0004	0.0001	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.0004	0.0001	0.0002
Echinococcus granulosus	cAMP dependent protein kinase type II regulatory	0.0004	0.0001	0.0002
Trypanosoma brucei	cAMP response protein 1, putative	0.0004	0.0001	0.0002
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0004	0.0001	0.0001
Brugia malayi	RasGEF domain containing protein	0.0007	0.0023	0.0046
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0001	0.0001
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0134	0.016
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0004	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0023	0.0046
Schistosoma mansoni	cyclic nucleotide-gated ion channel	0.0004	0.0001	0.0002
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0004	0.0001	0.0002
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0046	0.0093
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.0004	0.0001	0.0002
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0009	0.0046	0.0254
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.002	0.0134	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0046	0.0093
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0003	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0046	0.0093
Trichomonas vaginalis	helicase, putative	0.0007	0.0024	0.0024
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0023	0.0046
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0004	0.0001	0.0001
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0023	0.0046
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0046	0.0054
Echinococcus granulosus	carbonic anhydrase II	0.0575	0.491	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0369	0.0752
Echinococcus granulosus	carbonic anhydrase	0.0285	0.242	0.493
Echinococcus multilocularis	carbonic anhydrase II	0.0575	0.491	0.585
Schistosoma mansoni	cpg binding protein	0.003	0.0223	0.0454
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0001	0.0001
Leishmania major	regulatory subunit of protein kinase a-like protein	0.0004	0.0001	0.0002
Entamoeba histolytica	carbonic anhydrase, putative	0.0288	0.2448	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0134	0.0274
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.0004	0.0001	0.0002
Echinococcus granulosus	carbonic anhydrase	0.0285	0.242	0.493
Echinococcus granulosus	Protein son of sevenless	0.0007	0.0023	0.0046
Echinococcus multilocularis	Protein son of sevenless	0.0007	0.0023	0.0027
Loa Loa (eye worm)	carbonic anhydrase 3	0.0575	0.491	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0004	0.0001	0.0001
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0004	0.0001	0.0001
Schistosoma mansoni	camp-dependent protein kinase type II regulatory subunit	0.0004	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0004	0.0001	0.0002
Schistosoma mansoni	carbonic anhydrase-related	0.0285	0.242	0.493
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0004	0.0001	0.0004
Echinococcus granulosus	voltage gated potassium channel	0.0004	0.0001	0.0002
Giardia lamblia	CAMP-dependent protein kinase regulatory chain	0.0004	0.0001	0.0067
Leishmania major	hypothetical protein, conserved	0.0004	0.0001	0.0002
Echinococcus granulosus	cGMP dependent protein kinase	0.0004	0.0001	0.0002
Echinococcus multilocularis	rap guanine nucleotide exchange factor 6	0.0007	0.0023	0.0027
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0004	0.0001	0.0002
Chlamydia trachomatis	sulfate transporter	0.0034	0.0257	1
Trypanosoma brucei	cAMP binding protein, putative	0.0004	0.0001	0.0002
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0575	0.491	1
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0004	0.0001	0.0001
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0046	0.0054
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0024	0.0024
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0046	0.0093
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0004	0.0001	0.0002
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0046	0.0093
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0575	0.491	1
Onchocerca volvulus		0.0007	0.0023	0.0127
Schistosoma mansoni	ap endonuclease	0.002	0.0134	0.0274
Schistosoma mansoni	voltage-gated potassium channel	0.0004	0.0001	0.0002
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0007	0.0023	0.0046
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0046	0.0093
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0004	0.0001	0.0002
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0004	0.0001	0.0002
Schistosoma mansoni	cpg binding protein	0.0032	0.0238	0.0484
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0034	0.0257	0.0524
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0134	0.5223
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0134	0.0274
Trichomonas vaginalis	conserved hypothetical protein	0.1166	1	1
Treponema pallidum	cyclic nucleotide binding protein	0.0004	0.0001	0.0067
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0046	0.0093
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0285	0.242	0.493
Echinococcus granulosus	cAMP dependent protein kinase regulatory	0.0004	0.0001	0.0002
Trypanosoma cruzi	protein kinase A regulatory subunit	0.0004	0.0001	0.0002
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0004	0.0001	0.0002
Echinococcus multilocularis	patatin phospholipase domain containing protein	0.0004	0.0001	0.0001
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0134	0.0274
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.003	0.0061
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0004	0.0001	0.0002
Mycobacterium leprae	Probable transmembrane transport protein	0.0245	0.2078	0.8487
Loa Loa (eye worm)	hypothetical protein	0.0285	0.242	0.493
Schistosoma mansoni	dishevelled	0.0009	0.0046	0.0093
Schistosoma mansoni	ras GTP exchange factor	0.0007	0.0023	0.0046
Trypanosoma cruzi	Flagellar Member 6	0.0004	0.0001	0.0002
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0004	0.0001	0.0001
Echinococcus granulosus	son of sevenless 1	0.0007	0.0023	0.0046
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0575	0.491	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0369	0.0752
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.003	0.0061
Echinococcus granulosus	cAMP dependent protein kinase type I beta	0.0004	0.0001	0.0002
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Onchocerca volvulus		0.0212	0.1795	1
Mycobacterium ulcerans	integral membrane transporter	0.0034	0.0257	0.0256
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0046	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1582	0.3223
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.003	0.0061
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0023	0.0046
Echinococcus granulosus	rap guanine nucleotide exchange factor 6	0.0007	0.0023	0.0046
Onchocerca volvulus		0.0009	0.0046	0.0254
Mycobacterium ulcerans	carbonic anhydrase	0.0288	0.2448	0.2448
Loa Loa (eye worm)	hypothetical protein	0.0285	0.242	0.493
Trypanosoma brucei	carbonic anhydrase-like protein	0.0575	0.491	1
Trypanosoma brucei	protein kinase A regulatory subunit	0.0004	0.0001	0.0002
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0001	0.0001
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0001	0.0002
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0134	0.0134
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0285	0.242	0.493
Onchocerca volvulus		0.003	0.0223	0.1243
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0004	0.0001	0.0001
Trypanosoma cruzi	hypothetical protein	0.0007	0.0023	0.0046
Schistosoma mansoni	camp-dependent protein kinase regulatory chain	0.0004	0.0001	0.0002
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0135	0.1124	0.1296
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0369	0.0752
Treponema pallidum	cyclic nucleotide binding protein	0.0004	0.0001	0.0067
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0046	0.0054
Trypanosoma brucei	Flagellar Member 6	0.0004	0.0001	0.0002
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0024	0.0024
Echinococcus granulosus	ras GTP exchange factor	0.0007	0.0023	0.0046
Loa Loa (eye worm)	cAMP-dependent protein kinase regulatory subunit	0.0004	0.0001	0.0002
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0046	0.0093
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0004	0.0001	0.0002
Trypanosoma cruzi	cyclic nucleotide-binding domain containing protein, putative	0.0004	0.0001	0.0002
Echinococcus granulosus	hyperpolarization activated cyclic	0.0004	0.0001	0.0002
Brugia malayi	N-terminal motif family protein	0.0007	0.0023	0.0046
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Echinococcus granulosus	cpg binding protein	0.0032	0.0238	0.0484
Trypanosoma cruzi	cAMP binding protein, putative	0.0004	0.0001	0.0002
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.0004	0.0001	0.0001
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0007	0.0023	0.0046
Echinococcus multilocularis	carbonic anhydrase	0.0285	0.242	0.2884
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0006	0.002	0.0041
Toxoplasma gondii	hypothetical protein	0.0009	0.0046	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0001	0.0002
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0004	0.0001	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Trichomonas vaginalis	cAMP-dependent protein kinase regulatory subunit, putative	0.0004	0.0001	0.0001
Schistosoma mansoni	dishevelled	0.0009	0.0046	0.0093
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0245	0.2078	0.2395
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0034	0.0257	0.0524
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0046	0.0093
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0046	0.0093
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0288	0.2448	1
Echinococcus multilocularis	rap guanine nucleotide exchange factor 1	0.0007	0.0023	0.0027
Schistosoma mansoni	similar to Protein C20orf152 homolog	0.0004	0.0001	0.0002
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0285	0.242	0.493
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0369	0.0752
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0004	0.0001	0.0001
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.0004	0.0001	0.0002
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0046	0.0093
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0369	0.0752
Schistosoma mansoni	ap endonuclease	0.002	0.0134	0.0274
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0001	0.0001
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0134	0.5
Brugia malayi	DIX domain containing protein	0.0009	0.0046	0.0093
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0024	0.0024
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0134	0.0555
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.003	0.0036
Brugia malayi	N-terminal motif family protein	0.0007	0.0023	0.0046
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.0004	0.0001	0.0002
Toxoplasma gondii	exonuclease III APE	0.002	0.0134	0.0555
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0001	0.0002
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0001	0.0001
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0575	0.491	1
Leishmania major	protein kinase, putative	0.0004	0.0001	0.0002
Leishmania major	hypothetical protein, conserved	0.0004	0.0001	0.0002
Echinococcus granulosus	carbonic anhydrase	0.0285	0.242	0.493
Echinococcus multilocularis	carbonic anhydrase	0.0285	0.242	0.2884
Schistosoma mansoni	cpg binding protein	0.0032	0.0238	0.0484
Onchocerca volvulus		0.0004	0.0001	0.0005
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0004	0.0001	0.0001
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.0453	0.1872
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0004	0.0001	0.0002
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0188	0.1582	0.8817
Brugia malayi	Egg laying defective protein 4	0.0004	0.0001	0.0002
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0004	0.0001	0.0001
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0004	0.0001	0.0002
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0046	0.0093
Schistosoma mansoni	serine/threonine protein kinase	0.0004	0.0001	0.0002
Trypanosoma cruzi	cAMP response protein 1	0.0004	0.0001	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0369	0.044
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0004	0.0001	0.0002
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0134	0.0274
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.003	0.0036
Schistosoma mansoni	hypothetical protein	0.0285	0.242	0.493
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0046	0.0093
Brugia malayi	N-terminal motif family protein	0.0188	0.1582	0.3223
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0023	0.0046
Echinococcus granulosus	rap guanine nucleotide exchange factor 1	0.0007	0.0023	0.0046
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0134	0.0274
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0004	0.0001	0.0002
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.0004	0.0001	0.0002
Echinococcus multilocularis	cAMP dependent protein kinase regulatory	0.0004	0.0001	0.0001
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0023
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Trichomonas vaginalis	ap endonuclease, putative	0.002	0.0134	0.0134
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0004	0.0001	0.0001
Schistosoma mansoni	voltage-gated potassium channel	0.0004	0.0001	0.0002
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0004	0.0001	0.0001
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.0004	0.0001	0.0002
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0024	0.0024
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0.0023	0.0023
Brugia malayi	RasGEF domain containing protein	0.0007	0.0023	0.0046
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.0004	0.0001	0.0004
Schistosoma mansoni	voltage-gated potassium channel	0.0004	0.0001	0.0002
Schistosoma mansoni	carbonic anhydrase	0.0285	0.242	0.493
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0004	0.0001	0.0001
Leishmania major	hypothetical protein, conserved	0.0004	0.0001	0.0002
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0134	0.0134
Echinococcus multilocularis	carbonic anhydrase	0.0285	0.242	0.2884
Echinococcus multilocularis	expressed conserved protein	0.0004	0.0001	0.0001
Treponema pallidum	catabolite gene activator (Crp)	0.0004	0.0001	0.0067
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0024	0.0024
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0004	0.0001	0.0002
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0511	0.1042
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0046	0.0093
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1012	0.8676	1
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0007	0.0023	0.0023
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.8393	1
Leishmania major	cyclic nucleotide-binding protein-like protein	0.0004	0.0001	0.0002
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0004	0.0001	0.0001
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0034	0.0257	0.0524
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.002	0.0134	0.0155
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0024	0.0024
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0007	0.0023	0.0127
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0024	0.0024
Echinococcus multilocularis	ras GTP exchange factor	0.0007	0.0023	0.0027
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0004	0.0001	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0024	0.0024
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0045	0.0091
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0285	0.242	0.493
Plasmodium falciparum	carbonic anhydrase	0.0285	0.242	1
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0034	0.0257	0.1063
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0001	0.0002
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0004	0.0001	0.0002
Echinococcus multilocularis	cAMP dependent protein kinase type I beta	0.0004	0.0001	0.0001
Brugia malayi	CXXC zinc finger family protein	0.003	0.0223	0.0454
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0134	1
Toxoplasma gondii	cAMP-dependent protein kinase regulatory subunit	0.0004	0.0001	0.0004
Leishmania major	hypothetical protein, unknown function	0.0004	0.0001	0.0002
Onchocerca volvulus	Putative sulfate transporter	0.0212	0.1795	1
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0004	0.0001	0.0001
Plasmodium vivax	CAMP-dependent protein kinase regulatory subunit, putative	0.0004	0.0001	0.0035
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0004	0.0001	0.0002
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0007	0.0023	0.0046
Loa Loa (eye worm)	AGC/PKG protein kinase	0.0004	0.0001	0.0002
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0285	0.242	0.493
Trichomonas vaginalis	conserved hypothetical protein	0.1166	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0004	0.0001	0.0002
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0034	0.0257	0.0256
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0004	0.0001	0.0002
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0223	0.0454
Leishmania major	protein kinase A regulatory subunit, putative	0.0004	0.0001	0.0002
Trichomonas vaginalis	cAMP-dependent protein kinase type I-beta regulatory subunit, putative	0.0004	0.0001	0.0001
Schistosoma mansoni	voltage-gated potassium channel	0.0004	0.0001	0.0002
Echinococcus multilocularis	voltage gated potassium channel	0.0004	0.0001	0.0001
Plasmodium falciparum	cGMP-dependent protein kinase	0.0004	0.0001	0.0004
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0024	0.0024
Brugia malayi	hypothetical protein	0.0009	0.0046	0.0093
Schistosoma mansoni	dep domain containing protein	0.0009	0.0046	0.0093
Entamoeba histolytica	hypothetical protein	0.0007	0.0023	0.0093
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0007	0.0023	0.0093
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0046	0.0054
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0004	0.0001	0.0001
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0046	0.0054
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0575	0.491	1
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0004	0.0001	0.0002
Echinococcus granulosus	cGMP dependent protein kinase 1	0.0004	0.0001	0.0002
Brugia malayi	RasGEF domain containing protein	0.0007	0.0023	0.0046

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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)	18.3489 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)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1311712

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1241448