TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 576.395 | Formula: C28H22BrN3O6
H donors: 0 H acceptors: 3 LogP: 4.49 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: CCOC(=O)c1ccc2c(c1)n1c(c3ccccc3)c3c(c1C(O2)c1ccc(o1)Br)n(C)c(=O)n(c3=O)C
InChi: 1S/C28H22BrN3O6/c1-4-36-27(34)16-10-11-18-17(14-16)32-22(15-8-6-5-7-9-15)21-23(30(2)28(35)31(3)26(21)33)24(32)25(38-18)19-12-13-20(29)37-19/h5-14,25H,4H2,1-3H3
InChiKey: IQTUORHYHHBSMV-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cystic fibrosis transmembrane conductance regulator (ATP-binding cassette sub-family C, member 7)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	ATP-binding cassette, sub-family C (CFTR/MRP), member 2; Canalicular multispecific organic anion transporter; multidrug resist	Get druggable targets OG5_140335	All targets in OG5_140335
Plasmodium vivax	multidrug resistance-associated protein 1, putative	Get druggable targets OG5_140335	All targets in OG5_140335

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 granulosus	neutral amino acid transporter A	0.1318	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0051	0.0262	0.0262
Mycobacterium leprae	conserved hypothetical protein	0.0078	0.0469	0.2785
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0051	0.0262	0.0262
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0181	0.2633
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0181	0.2967
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0131	0.0878	0.0878
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0025	0.0068	0.0068
Schistosoma mansoni	jumonji domain containing protein	0.0051	0.0262	0.0262
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0469	0.3263
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0185	0.1299	0.1239
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.0186	0.1293
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0117	0.0117
Entamoeba histolytica	hypothetical protein	0.0075	0.0451	0.9077
Echinococcus granulosus	expressed protein	0.0321	0.2338	0.2338
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0167	0.1156	0.8756
Echinococcus multilocularis	microtubule associated protein 2	0.1177	0.8918	0.8918
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0181	0.2633
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0171	0.0171
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0117	0.0117
Trichomonas vaginalis	penicillin-binding protein, putative	0.0078	0.0469	0.3263
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0071	0.0071
Mycobacterium ulcerans	DNA polymerase IV	0.0033	0.0126	0.1451
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0051	0.0262	0.0262
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0584	0.4362	0.4362
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0357	0.2617	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0181	0.2638
Schistosoma mansoni	loxhd1	0.0022	0.0041	0.0041
Schistosoma mansoni	hypothetical protein	0.0022	0.0041	0.0041
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0081	0.0497	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0126	0.0126
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0069	0.0404	0.0404
Onchocerca volvulus		0.0104	0.0676	0.0637
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0181	0.126
Entamoeba histolytica	hypothetical protein	0.0075	0.0451	0.9077
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0171	0.0171
Echinococcus granulosus	excitatory amino acid transporter 2	0.1318	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0081	0.0497	0.0497
Mycobacterium tuberculosis	Probable oxidoreductase	0.0185	0.1299	0.1239
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0179	0.1248	0.1248
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0117	0.0117
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0025	0.0068	0.0068
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0002	0.0002
Echinococcus granulosus	histone lysine methyltransferase setb	0.0026	0.0071	0.0071
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0019	0.0016	0.0016
Chlamydia trachomatis	glutamate symporter	0.1318	1	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0073	0.0435	0.037
Trypanosoma cruzi	polo-like protein kinase, putative	0.0081	0.0497	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0041	0.0186	0.2743
Echinococcus multilocularis	neutral amino acid transporter A	0.1318	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.1177	0.8918	0.8918
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Schistosoma mansoni	inositol monophosphatase	0.004	0.0181	0.0181
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0117	0.0117
Schistosoma mansoni	hypothetical protein	0.0538	0.4006	0.4006
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0126	0.1747
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.0181	0.0181
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0026	0.0071	0.0071
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0025	0.0068	0.068
Schistosoma mansoni	lipoxygenase	0.0091	0.0576	0.0576
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0074	0.0439	0.0439
Loa Loa (eye worm)	excitatory amino acid transporter	0.1318	1	1
Schistosoma mansoni	inositol monophosphatase	0.004	0.0181	0.0181
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.1261	0.1261
Treponema pallidum	glutamate/aspartate transporter	0.0584	0.4362	1
Echinococcus multilocularis	Excitatory amino acid transporter	0.1318	1	1
Echinococcus granulosus	muscleblind protein	0.0128	0.086	0.086
Giardia lamblia	DINP protein human, muc B family	0.0033	0.0126	0.1356
Brugia malayi	hypothetical protein	0.0022	0.0041	0.0041
Trichomonas vaginalis	inositol monophosphatase, putative	0.004	0.0181	0.126
Schistosoma mansoni	ap endonuclease	0.0041	0.0186	0.0186
Brugia malayi	ImpB/MucB/SamB family protein	0.0033	0.0126	0.0126
Trichomonas vaginalis	ap endonuclease, putative	0.0041	0.0186	0.1293
Trypanosoma brucei	hypothetical protein, conserved	0.0078	0.0469	0.9374
Onchocerca volvulus		0.0026	0.0071	0.0029
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0584	0.4362	0.4362
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.1318	1	1
Echinococcus granulosus	inositol monophosphatase 1	0.004	0.0181	0.0181
Loa Loa (eye worm)	doublecortin family protein	0.0022	0.0041	0.0041
Echinococcus granulosus	dna polymerase kappa	0.0033	0.0126	0.0126
Brugia malayi	Thioredoxin reductase	0.0073	0.0435	0.0435
Mycobacterium tuberculosis	Probable esterase LipL	0.0078	0.0469	0.0404
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Plasmodium vivax	hypothetical protein, conserved	0.0078	0.0469	0.166
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0017	0.0002	0.0002
Brugia malayi	Pre-SET motif family protein	0.0026	0.0071	0.0071
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0081	0.0497	0.0497
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0081	0.0497	0.0497
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0025	0.0063	0.0063
Echinococcus multilocularis	excitatory amino acid transporter 2	0.1318	1	1
Echinococcus multilocularis	muscleblind protein 1	0.0128	0.086	0.086
Schistosoma mansoni	lipoxygenase	0.0131	0.0878	0.0878
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0167	0.1156	0.1095
Echinococcus multilocularis	excitatory amino acid transporter 2	0.1318	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0181	0.1262
Trypanosoma brucei	unspecified product	0.0033	0.0126	0.1747
Toxoplasma gondii	ABC1 family protein	0.0078	0.0469	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0025	0.0068	0.0104
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0033	0.0126	0.0879
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.1318	1	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0404	0.7927
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0078	0.0469	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0469	0.3263
Schistosoma mansoni	serine/threonine protein kinase	0.0081	0.0497	0.0497
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.0181	0.0181
Plasmodium falciparum	glutathione reductase	0.0073	0.0435	1
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0469	0.0404
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0026	0.0071	0.0071
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0041	0.0186	0.3738
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0019	0.0016	0.0016
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0167	0.1156	0.1095
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0041	0.0041
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0041	0.0186	0.3072
Echinococcus granulosus	GPCR family 2	0.0032	0.0117	0.0117
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0078	0.0469	0.0404
Brugia malayi	Inositol-1	0.004	0.0181	0.0181
Brugia malayi	beta-lactamase family protein	0.0078	0.0469	0.0469
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.0181	0.1262
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0033	0.0126	0.0126
Echinococcus granulosus	Excitatory amino acid transporter	0.1318	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0039	0.0171	0.0171
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0796	0.5991	0.5991
Trypanosoma brucei	DNA polymerase eta, putative	0.0033	0.0126	0.1747
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0117	0.0117
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0131	0.0878	0.0878
Giardia lamblia	Kinase, PLK	0.0081	0.0497	1
Echinococcus multilocularis	neutral amino acid transporter A	0.1318	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0078	0.0469	0.0469
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.1318	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0041	0.0186	0.0186
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0041	0.0186	0.0274
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0469	0.0469
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0126	0.1747
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0469	0.0404
Loa Loa (eye worm)	beta-lactamase	0.0078	0.0469	0.0469
Onchocerca volvulus		0.0078	0.0469	0.0429
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.1318	1	1
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0017	0.0002	0.0002
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0078	0.0469	0.0469
Loa Loa (eye worm)	jmjC domain-containing protein	0.0051	0.0262	0.0262
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0041	0.0186	0.0186
Loa Loa (eye worm)	thioredoxin reductase	0.0073	0.0435	0.0435
Trichomonas vaginalis	mercuric reductase, putative	0.0025	0.0068	0.0474
Echinococcus multilocularis	Polycystic kidney disease protein	0.0022	0.0041	0.0041
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.04	0.04
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Plasmodium falciparum	thioredoxin reductase	0.0025	0.0068	0.068
Echinococcus granulosus	dna polymerase eta	0.0033	0.0126	0.0126
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0069	0.0404	0.7829
Leishmania major	DNA polymerase eta, putative	0.0033	0.0126	0.1356
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0017	0.0002	0.0002
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0041	0.0186	0.0186
Trichomonas vaginalis	penicillin-binding protein, putative	0.0078	0.0469	0.3263
Schistosoma mansoni	ap endonuclease	0.0041	0.0186	0.0186
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0078	0.0469	0.0469
Mycobacterium tuberculosis	Probable lipase LipD	0.0078	0.0469	0.0404
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0071	0.0071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0171	0.0171
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.1318	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0078	0.0469	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0419	0.0419
Echinococcus multilocularis	RUN	0.0022	0.0041	0.0041
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0167	0.1156	0.1095
Echinococcus multilocularis	neuropeptide receptor A26	0.0538	0.4006	0.4006
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Onchocerca volvulus		0.0078	0.0469	0.0429
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Echinococcus multilocularis	muscleblind protein	0.0128	0.086	0.086
Echinococcus granulosus	excitatory amino acid transporter 2	0.1318	1	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.0181	0.2824
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0033	0.0126	0.0059
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0041	0.0041
Echinococcus granulosus	neutral amino acid transporter	0.1318	1	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0041	0.0186	0.0561
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.1261	0.1261
Echinococcus multilocularis	neutral amino acid transporter A	0.1318	1	1
Schistosoma mansoni	hypothetical protein	0.0069	0.04	0.04
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0181	0.1261	0.1261
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0071	0.0419	0.8423
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0451	0.0451
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0181	0.2638
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0117	0.0117
Echinococcus multilocularis	geminin	0.0538	0.4006	0.4006
Trypanosoma cruzi	trypanothione reductase, putative	0.0073	0.0435	0.8561
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0025	0.0068	0.0068
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.0181	0.2638
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0033	0.0126	0.0126
Mycobacterium tuberculosis	Probable dehydrogenase	0.0167	0.1156	0.1095
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0025	0.0068	0.0453
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0182	0.1267
Toxoplasma gondii	thioredoxin reductase	0.0073	0.0435	0.9162
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0025	0.0068	0.0453
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0051	0.0262	0.0262
Mycobacterium ulcerans	DNA polymerase IV	0.0033	0.0126	0.1451
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0644	0.0644
Echinococcus granulosus	sodium:dicarboxylate symporter	0.1318	1	1
Toxoplasma gondii	exonuclease III APE	0.0041	0.0186	0.2936
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0181	0.1262
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0025	0.0068	0.0453
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.004	0.0181	0.2633
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0041	0.0041
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0033	0.0126	0.0126
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0041	0.0186	0.2743
Echinococcus multilocularis	expressed protein	0.0321	0.2338	0.2338
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0033	0.0126	0.0059
Schistosoma mansoni	hypothetical protein	0.0032	0.0117	0.0117
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0451	0.0451
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0081	0.0497	1
Echinococcus multilocularis	inositol monophosphatase 1	0.004	0.0181	0.0181
Schistosoma mansoni	alpha-glucosidase	0.0155	0.1068	0.1068
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0033	0.0126	0.2541
Echinococcus granulosus	neutral amino acid transporter A	0.1318	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0644	0.0644
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0171	0.0171
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0404	0.7829
Chlamydia trachomatis	neutral amino acid transporter	0.0584	0.4362	0.4323
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0181	0.1262
Leishmania major	DNA polymerase kappa, putative	0.0033	0.0126	0.1356
Trichomonas vaginalis	CAMK family protein kinase	0.004	0.0182	0.1267
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0128	0.086	0.086
Schistosoma mansoni	rab6-interacting	0.0022	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0469	0.0469
Plasmodium vivax	SET domain protein, putative	0.0026	0.0071	0.0113
Entamoeba histolytica	hypothetical protein	0.0075	0.0451	0.9077
Schistosoma mansoni	DNA polymerase eta	0.0033	0.0126	0.0126
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0469	0.9344
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0078	0.0469	0.0469
Mycobacterium ulcerans	hypothetical protein	0.0078	0.0469	1
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0069	0.0404	0.0404
Trichomonas vaginalis	esterase, putative	0.0078	0.0469	0.3263
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0171	0.0171
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0036	0.0149	0.0081
Echinococcus multilocularis	Excitatory amino acid transporter	0.1318	1	1
Loa Loa (eye worm)	inositol-1	0.004	0.0181	0.0181
Echinococcus multilocularis	dna polymerase kappa	0.0033	0.0126	0.0126
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0002	0.0002
Brugia malayi	hypothetical protein	0.0075	0.0451	0.0451
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0041	0.0186	0.0118
Schistosoma mansoni	alpha glucosidase	0.004	0.0181	0.0181
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0181	0.3648
Echinococcus multilocularis	neuropeptide s receptor	0.0538	0.4006	0.4006
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.0181	0.0181
Treponema pallidum	glutamate transporter	0.0584	0.4362	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0181	0.1262
Plasmodium vivax	glutathione reductase, putative	0.0073	0.0435	0.153
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0026	0.0071	0.0071
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0041	0.0186	0.2743
Leishmania major	trypanothione reductase	0.0073	0.0435	0.8561
Plasmodium falciparum	glutathione reductase	0.0025	0.0068	0.068
Brugia malayi	jmjC domain containing protein	0.0051	0.0262	0.0262
Echinococcus multilocularis	dna polymerase eta	0.0033	0.0126	0.0126
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0033	0.0126	0.0126
Trypanosoma brucei	trypanothione reductase	0.0073	0.0435	0.8626
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0469	0.0469
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0069	0.0404	0.8127
Onchocerca volvulus		0.0078	0.0469	0.0429
Brugia malayi	glutathione reductase	0.0073	0.0435	0.0435
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Trichomonas vaginalis	glutathione reductase, putative	0.0025	0.0068	0.0474
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0071	0.0419	0.8423
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0041	0.0041
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0041	0.0186	0.3667
Schistosoma mansoni	alpha-glucosidase	0.0155	0.1068	0.1068
Schistosoma mansoni	serine/threonine protein kinase	0.0017	0.0002	0.0002
Echinococcus granulosus	neuropeptide receptor A26	0.0538	0.4006	0.4006
Schistosoma mansoni	hypothetical protein	0.0538	0.4006	0.4006
Brugia malayi	beta-lactamase family protein	0.0078	0.0469	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0069	0.04	0.04
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.1318	1	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0025	0.0068	0.0104
Brugia malayi	Doublecortin family protein	0.0022	0.0041	0.0041
Trypanosoma brucei	glucosidase, putative	0.004	0.0181	0.2972
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0026	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0469	0.0469
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0181	0.1262
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0185	0.1299	0.1239
Echinococcus granulosus	thioredoxin glutathione reductase	0.0074	0.0439	0.0439
Brugia malayi	hypothetical protein	0.0022	0.0041	0.0041
Echinococcus granulosus	excitatory amino acid transporter 3	0.1318	1	1
Brugia malayi	beta-lactamase	0.0078	0.0469	0.0469
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0167	0.1156	0.1095
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0041	0.0186	0.2743
Echinococcus granulosus	geminin	0.0538	0.4006	0.4006
Brugia malayi	Muscleblind-like protein	0.0128	0.086	0.086
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.0181	0.1262
Brugia malayi	exodeoxyribonuclease III family protein	0.0041	0.0186	0.0186
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0117	0.0117
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0584	0.4362	0.4362
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.004	0.0181	0.126
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.004	0.0181	0.3644
Echinococcus multilocularis	excitatory amino acid transporter 3	0.1318	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0126	0.1747
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0181	0.1262
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0033	0.0126	0.1356
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0469	0.9344
Trichomonas vaginalis	set domain proteins, putative	0.0204	0.1438	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0185	0.1299	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0026	0.0071	0.0059
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0033	0.0126	0.0126
Mycobacterium ulcerans	esterase/lipase LipP	0.0078	0.0469	1
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Trypanosoma brucei	polo-like protein kinase	0.0081	0.0497	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0078	0.0469	0.0404
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0081	0.0497	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0117	0.0117
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0644	0.0644
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0033	0.0126	0.1356
Brugia malayi	jmjC domain containing protein	0.0051	0.0262	0.0262
Plasmodium vivax	thioredoxin reductase, putative	0.0073	0.0435	0.153
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0171	0.0171
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0033	0.0126	0.1356
Echinococcus multilocularis	transcription factor Dp 1	0.004	0.0181	0.0181
Trypanosoma cruzi	polo-like protein kinase, putative	0.0081	0.0497	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.004	0.0181	0.0114
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0033	0.0126	0.1356
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.004	0.0181	0.2818
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0469	0.0469
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0017	0.0002	0.0002
Mycobacterium leprae	Probable lipase LipE	0.0078	0.0469	0.2785
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.01	0.0644	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0117	0.0117
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0584	0.4362	0.4362
Trypanosoma cruzi	DNA polymerase eta, putative	0.0033	0.0126	0.1356
Echinococcus granulosus	lysosomal alpha glucosidase	0.0181	0.1261	0.1261
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0181	0.1262
Onchocerca volvulus		0.0204	0.1438	0.1402
Trichomonas vaginalis	CAMK family protein kinase	0.0081	0.0497	0.3458
Mycobacterium tuberculosis	Probable lipase LipE	0.0078	0.0469	0.0404
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0069	0.0404	0.0404
Echinococcus multilocularis	lysine specific demethylase 5A	0.0051	0.0262	0.0262
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0078	0.0469	0.0469
Plasmodium falciparum	thioredoxin reductase	0.0073	0.0435	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0451	0.9077
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0171	0.0171
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0069	0.0404	0.0404
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.004	0.0181	0.2818
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0181	0.3648
Echinococcus granulosus	neuropeptide s receptor	0.0538	0.4006	0.4006
Loa Loa (eye worm)	hypothetical protein	0.0128	0.086	0.086
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0069	0.0404	0.7829
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0041	0.0186	0.0118
Schistosoma mansoni	rab6-interacting	0.0022	0.0041	0.0041
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0069	0.0404	0.0404
Brugia malayi	serine/threonine-protein kinase plk-2	0.0081	0.0497	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0469	0.0469
Schistosoma mansoni	polycystin 1-related	0.0022	0.0041	0.0041
Trichomonas vaginalis	DNA polymerase eta, putative	0.0033	0.0126	0.0879
Echinococcus granulosus	transcription factor Dp 1	0.004	0.0181	0.0181
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0039	0.0171	0.0171
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0078	0.0469	0.0404
Echinococcus granulosus	microtubule associated protein 2	0.1177	0.8918	0.8918
Brugia malayi	ImpB/MucB/SamB family protein	0.0033	0.0126	0.0126
Echinococcus granulosus	Excitatory amino acid transporter	0.1318	1	1
Leishmania major	hypothetical protein, conserved	0.0078	0.0469	0.9344
Mycobacterium tuberculosis	Probable reductase	0.0167	0.1156	0.1095
Mycobacterium tuberculosis	Probable hydrolase	0.0078	0.0469	0.0404
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0025	0.0068	0.0068
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0025	0.0068	0.0453
Echinococcus granulosus	lysine specific demethylase 5A	0.0051	0.0262	0.0262
Echinococcus granulosus	Polycystic kidney disease protein	0.0022	0.0041	0.0041
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0181	0.1261	0.1261
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0469	0.3263
Brugia malayi	Pre-SET motif family protein	0.0179	0.1248	0.1248
Schistosoma mansoni	kinase	0.0041	0.019	0.019
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0469	0.0404
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.0181	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0041	0.0041
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0041	0.0186	0.2936
Echinococcus granulosus	RUN	0.0022	0.0041	0.0041
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0025	0.0068	0.068
Loa Loa (eye worm)	glutathione reductase	0.0073	0.0435	0.0435
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0495	0.3679	0.3636
Schistosoma mansoni	hypothetical protein	0.0075	0.0451	0.0451
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0126	0.1747
Mycobacterium ulcerans	lipase LipD	0.0078	0.0469	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0017	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0071	0.0071
Mycobacterium ulcerans	beta-lactamase	0.0078	0.0469	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0033	0.0126	0.1356

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.025 uM	Inhibition of human wild-type CFTR expressed in FRT cells assessed as inhibition of forskolin-induced short-circuit current by voltage clamp electrophysiology assay	ChEMBL.	21707078
IC50 (functional)	= 0.05 uM	Inhibition of human wild-type CFTR expressed in FRT cells coexpressing YFP-H148Q assessed as inhibition of cAMP agonist-induced iodide influx after 45 mins by fluorescence plate-reader analysis	ChEMBL.	21707078

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1831073

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1119601