TDR Targets

Basic information

Technical information

TDR Targets ID: 433791
Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methyls ulfonylpiperidin-4-yl)amino]phenyl]thiophene- 2-carboxylic acid
MW: 533.413 | Formula: C19H21BrN2O7S2
H donors: 3 H acceptors: 6 LogP: 3.21 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)COc1c(sc(c1Br)c1cccc(c1)NC1CCN(CC1)S(=O)(=O)C)C(=O)O
InChi: 1S/C19H21BrN2O7S2/c1-31(27,28)22-7-5-12(6-8-22)21-13-4-2-3-11(9-13)17-15(20)16(29-10-14(23)24)18(30-17)19(25)26/h2-4,9,12,21H,5-8,10H2,1H3,(H,23,24)(H,25,26)
InChiKey: PDWDPLUBODLERW-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

4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonyl-4-piperidyl)amino]phenyl]thiophene-2-carboxylic acid
4-bromo-3-(carboxymethyloxy)-5-[3-[(1-methylsulfonyl-4-piperidinyl)amino]phenyl]-2-thiophenecarboxylic acid
4-bromo-3-(carboxymethyloxy)-5-[3-[(1-mesyl-4-piperidyl)amino]phenyl]-2-thenoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein tyrosine phosphatase, non-receptor type 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	Get druggable targets OG5_133865	All targets in OG5_133865
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	Get druggable targets OG5_133865	All targets in OG5_133865
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133865	All targets in OG5_133865
Brugia malayi	Protein-tyrosine phosphatase containing protein	Get druggable targets OG5_133865	All targets in OG5_133865
Loa Loa (eye worm)	protein-tyrosine phosphatase	Get druggable targets OG5_133865	All targets in OG5_133865
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	Get druggable targets OG5_133865	All targets in OG5_133865
Schistosoma japonicum	ko:K05696 protein tyrosine phosphatase, non-receptor type 1, putative	Get druggable targets OG5_133865	All targets in OG5_133865

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
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0114	0.0156	0.1607
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0114	0.0156	0.1174
Echinococcus multilocularis	flap endonuclease 1	0.003	0.0013	0.0013
Loa Loa (eye worm)	beta-lactamase	0.004	0.003	0.0261
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0114	0.0156	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0156	0.1174
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0594	0.0973	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0054	0.0054	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0156	0.1342
Plasmodium vivax	hypothetical protein	0.0114	0.0156	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0114	0.0156	0.1226
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0594	0.0973	0.8349
Trypanosoma cruzi	target of rapamycin kinase 3	0.0594	0.0973	0.2819
Brugia malayi	beta-lactamase family protein	0.004	0.003	0.0261
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0259	0.0403	0.0403
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0156	0.1342
Mycobacterium ulcerans	acyl-CoA synthetase	0.0054	0.0054	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0054	0.0462
Trichomonas vaginalis	conserved hypothetical protein	0.0259	0.0403	0.3024
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0114	0.0156	0.1226
Onchocerca volvulus		0.0101	0.0134	0.08
Schistosoma mansoni	flap endonuclease-1	0.0027	0.0008	0.0066
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	0.1607
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0707	0.1165	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.0261
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.003	0.003
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0594	0.0973	1
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0114	0.0156	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0335	0.0532	0.4566
Loa Loa (eye worm)	hypothetical protein	0.0259	0.0403	0.3456
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0114	0.0156	0.1342
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0114	0.0156	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0485	0.0788	0.2283
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Leishmania major	hypothetical protein, unknown function	0.0114	0.0156	0.0429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.1607
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0114	0.0156	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0371	0.0593	0.5092
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Toxoplasma gondii	ABC1 family protein	0.004	0.003	0.0178
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.003	0.0013	0.0137
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0114	0.0156	0.3913
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0423	0.0682	0.5348
Echinococcus granulosus	tar DNA binding protein	0.0215	0.0328	0.0328
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0114	0.0156	0.0156
Brugia malayi	RNA recognition motif domain containing protein	0.0215	0.0328	0.2816
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0101	0.0134	0.0134
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0031	0.0262
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0594	0.0973	0.2669
Leishmania major	phosphatidylinositol kinase, putative	0.0114	0.0156	0.0429
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0114	0.0156	0.1226
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0594	0.0973	0.0973
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	0.0429
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0594	0.0973	0.763
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.0261
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.004	0.0031	0.5681
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0373	0.0597	0.6085
Loa Loa (eye worm)	hypothetical protein	0.004	0.0031	0.0262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	0.1174
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.003	0.0088
Mycobacterium ulcerans	acyl-CoA synthetase	0.0054	0.0054	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0114	0.0156	0.0156
Schistosoma mansoni	tar DNA-binding protein	0.0215	0.0328	0.2573
Echinococcus granulosus	serine protein kinase ATM	0.0485	0.0788	0.0788
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Loa Loa (eye worm)	flap endonuclease-1	0.003	0.0013	0.0114
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.003	0.0228
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.1607
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.003	0.076
Echinococcus granulosus	flap endonuclease 1	0.003	0.0013	0.0013
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0098	0.0128	0.0128
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0114	0.0156	0.1174
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0114	0.0156	0.1491
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0101	0.0134	0.1055
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0114	0.0156	0.1174
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0156	0.1342
Mycobacterium tuberculosis	Conserved protein	0.004	0.003	0.076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0594	0.0973	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0027	0.0671
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0054	0.0054	0.0553
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0156	0.1342
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.0429
Trypanosoma cruzi	hypothetical protein, conserved	0.2051	0.3451	1
Onchocerca volvulus		0.0054	0.0054	0.018
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0594	0.0973	1
Brugia malayi	TAR-binding protein	0.0215	0.0328	0.2816
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0101	0.0134	0.1055
Echinococcus multilocularis	microtubule associated protein 2	0.0772	0.1275	0.1275
Entamoeba histolytica	acyl-coA synthetase, putative	0.0054	0.0054	0.0553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Mycobacterium leprae	conserved hypothetical protein	0.0114	0.0156	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Echinococcus granulosus	histone lysine methyltransferase setb	0.0101	0.0134	0.0134
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0054	0.0054	1
Brugia malayi	RNA binding protein	0.0215	0.0328	0.2816
Mycobacterium ulcerans	hypothetical protein	0.004	0.003	0.5645
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0054	0.0462
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0594	0.0973	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0423	0.0682	0.0682
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	0.0453
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.003	0.0228
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0114	0.0156	0.0156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	0.0453
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0114	0.0156	0.1174
Toxoplasma gondii	FATC domain-containing protein	0.0485	0.0788	0.8072
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0114	0.0156	0.1607
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0114	0.0156	0.1174
Onchocerca volvulus		0.0805	0.1332	1
Schistosoma mansoni	tar DNA-binding protein	0.0215	0.0328	0.2573
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0054	0.0054	0.0553
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0114	0.0156	0.0453
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0114	0.0156	0.1607
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0114	0.0156	0.1607
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0257	0.04	1
Trichomonas vaginalis	conserved hypothetical protein	0.0373	0.0597	0.4485
Plasmodium vivax	hypothetical protein, conserved	0.0114	0.0156	1
Loa Loa (eye worm)	hypothetical protein	0.0373	0.0597	0.5125
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0594	0.0973	0.2819
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	1
Echinococcus multilocularis		0.0114	0.0156	0.0156
Mycobacterium ulcerans	hypothetical protein	0.0054	0.0054	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.003	0.0013	0.0039
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.003	0.0238
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0114	0.0156	0.0156
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0114	0.0156	0.0453
Brugia malayi	beta-lactamase	0.004	0.003	0.0261
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0114	0.0156	0.1607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0594	0.0973	1
Echinococcus multilocularis	tar DNA binding protein	0.0215	0.0328	0.0328
Loa Loa (eye worm)	phosphatidylinositol 3	0.0594	0.0973	0.8349
Onchocerca volvulus		0.0114	0.0156	0.0968
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0215	0.0328	0.2816
Mycobacterium ulcerans	beta-lactamase	0.004	0.003	0.5645
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0054	0.0054	0.1861
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0101	0.0134	0.1263
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.5899	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.1607
Loa Loa (eye worm)	hypothetical protein	0.004	0.0031	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0054	0.0462
Giardia lamblia	Hypothetical protein	0.0114	0.0156	0.1607
Plasmodium vivax	SET domain protein, putative	0.0101	0.0134	0.8469
Loa Loa (eye worm)	TAR-binding protein	0.0215	0.0328	0.2816
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.003	0.0228
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0594	0.0973	0.0973
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0114	0.0156	0.1174
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.0261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0114	0.0156	0.0156
Onchocerca volvulus		0.0114	0.0156	0.0968
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.003	0.0088
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0371	0.0593	0.1719
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0114	0.0156	0.0156
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0156	0.1342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0594	0.0973	0.2669
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.003	0.0261
Trichomonas vaginalis	esterase, putative	0.004	0.003	0.0228
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.1607
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0101	0.0134	0.1055
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0114	0.0156	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0485	0.0788	0.6761
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0114	0.0156	0.1491
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0054	0.0054	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0114	0.0156	0.1174
Schistosoma mansoni	tar DNA-binding protein	0.0215	0.0328	0.2573
Schistosoma mansoni	tar DNA-binding protein	0.0215	0.0328	0.2573
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0594	0.0973	0.763
Mycobacterium tuberculosis	Conserved protein	0.004	0.003	0.076
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0114	0.0156	0.0156
Brugia malayi	Pre-SET motif family protein	0.0707	0.1165	1
Mycobacterium ulcerans	lipase LipD	0.004	0.003	0.5645
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.0261
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0114	0.0156	0.1226
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0594	0.0973	0.2819
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0114	0.0156	0.0453
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0054	0.0054	0.1347
Leishmania major	4-coumarate:coa ligase-like protein	0.0054	0.0054	0.0148
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.003	0.0013	0.0037
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0373	0.0597	0.6138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0156	0.1342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0156	0.1174
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.003	0.0228
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.003	0.5645
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0114	0.0156	0.0156
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0027	0.0671
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.004	0.0031	0.0765
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0114	0.0156	0.0156
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0156	0.1342
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0114	0.0156	0.0453
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0265	0.0412	0.1131
Echinococcus granulosus	microtubule associated protein 2	0.0772	0.1275	0.1275
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.003	0.0312
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0156	0.1342
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0335	0.0532	0.0532
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.003	0.0238
Trichomonas vaginalis	flap endonuclease-1, putative	0.003	0.0013	0.01
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0114	0.0156	0.1226
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0594	0.0973	0.2669
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.0261
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0114	0.0156	0.0453
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0423	0.0682	0.5852
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.0453
Echinococcus multilocularis	Zinc finger, PHD finger	0.0114	0.0156	0.0156
Leishmania major	hypothetical protein, conserved	0.2165	0.3646	1
Plasmodium vivax	hypothetical protein, conserved	0.004	0.003	0.1193
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0114	0.0156	0.1174
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0054	0.0054	0.1861
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0114	0.0156	0.1174
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0594	0.0973	0.2669
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0594	0.0973	0.2669
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0114	0.0156	0.0156
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0054	0.0054	0.1347
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.004	0.0031	0.5
Giardia lamblia	Flap structure-specific endonuclease	0.003	0.0013	0.0137
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.003	0.076
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0114	0.0156	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0156	0.1342
Loa Loa (eye worm)	hypothetical protein	0.004	0.0031	0.0262
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0027	0.0671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0101	0.0134	0.0134
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0594	0.0973	0.2819
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.003	0.076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0156	0.1342
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0054	0.0054	1
Echinococcus multilocularis	serine protein kinase ATM	0.0485	0.0788	0.0788
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Entamoeba histolytica	protein kinase rad3, putative	0.0335	0.0532	0.5469
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.1607
Plasmodium falciparum	acyl-CoA synthetase	0.004	0.0031	0.1207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0221	0.0338	0.2535
Giardia lamblia	GTOR	0.0594	0.0973	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.003	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.003	0.0228
Entamoeba histolytica	hypothetical protein	0.0114	0.0156	0.1607
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0038	0.0027	0.0671
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0114	0.0156	0.1342
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.003	0.076
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.003	0.5645
Plasmodium vivax	acyl-CoA synthetase, putative	0.004	0.0031	0.1207
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0485	0.0788	0.6179
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.003	0.076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0156	0.1174
Brugia malayi	FAT domain containing protein	0.0259	0.0403	0.3456
Loa Loa (eye worm)	phosphatidylinositol 3	0.0114	0.0156	0.1342
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.003	0.0261
Schistosoma mansoni	microtubule-associated protein tau	0.0772	0.1275	1
Entamoeba histolytica	hypothetical protein	0.0114	0.0156	0.1607
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0594	0.0973	1
Entamoeba histolytica	hypothetical protein	0.0114	0.0156	0.1607
Loa Loa (eye worm)	phosphatidylinositol 3	0.0594	0.0973	0.8349
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0114	0.0156	0.1607
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0114	0.0156	0.1226
Entamoeba histolytica	hypothetical protein	0.0114	0.0156	0.1607
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0114	0.0156	0.1174
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0594	0.0973	0.2819
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0114	0.0156	0.1174
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0335	0.0532	0.3996
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0156	0.1342
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0485	0.0788	0.5917
Loa Loa (eye worm)	hypothetical protein	0.004	0.0031	0.0262
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0335	0.0532	0.4173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.0597	0.4485
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0265	0.0412	0.1194
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0594	0.0973	0.8349
Entamoeba histolytica	Flap nuclease, putative	0.003	0.0013	0.0137
Brugia malayi	Pre-SET motif family protein	0.0101	0.0134	0.1154
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0156	0.1342
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.0261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	1
Loa Loa (eye worm)	RNA binding protein	0.0215	0.0328	0.2816
Leishmania major	4-coumarate:coa ligase-like protein	0.0054	0.0054	0.0148
Schistosoma mansoni	hypothetical protein	0.0259	0.0403	0.3158
Leishmania major	4-coumarate:coa ligase-like protein	0.0054	0.0054	0.0148
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0114	0.0156	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0134	0.1154
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0335	0.0532	0.1542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0335	0.0532	0.0532
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0114	0.0156	0.1174
Brugia malayi	Flap endonuclease-1	0.003	0.0013	0.0114
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.003	0.076
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0259	0.0403	0.0403
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0114	0.0156	0.0156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0114	0.0156	0.1491
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0114	0.0156	0.1607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0594	0.0973	0.7307
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0114	0.0156	1
Trichomonas vaginalis	conserved hypothetical protein	0.0221	0.0338	0.2535
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0335	0.0532	0.4566
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0114	0.0156	0.1607
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0114	0.0156	0.1226
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0594	0.0973	0.0973
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0594	0.0973	0.0973
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0054	0.0054	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0423	0.0682	0.0682
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0101	0.0134	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0054	0.0462
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0054	0.0462
Schistosoma mansoni	tar DNA-binding protein	0.0215	0.0328	0.2573
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0114	0.0156	0.0156
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0114	0.0156	0.1607
Brugia malayi	AMP-binding enzyme family protein	0.0054	0.0054	0.0462
Brugia malayi	beta-lactamase family protein	0.004	0.003	0.0261
Entamoeba histolytica	hypothetical protein	0.0485	0.0788	0.8098
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.003	0.076
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0114	0.0156	0.1491
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0335	0.0532	0.5469
Mycobacterium tuberculosis	Conserved protein	0.004	0.003	0.076
Trichomonas vaginalis	set domain proteins, putative	0.0805	0.1332	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0114	0.0156	0.1607
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0485	0.0788	0.8098
Schistosoma mansoni	hypothetical protein	0.0114	0.0156	0.1226
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0594	0.0973	1
Leishmania major	hypothetical protein, conserved	0.004	0.003	0.0083
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0423	0.0682	0.5852

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.044 uM	Inhibition of human recombinant PTP1B	ChEMBL.	17705360
Ki (binding)	= 0.044 uM	Inhibition of human recombinant PTP1B	ChEMBL.	17705360

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.

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External resources for this compound

PubChem: 17758226

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 433791