TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.508 | Formula: C21H36O5
H donors: 2 H acceptors: 4 LogP: 6.71 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@H](OC1=O)CO
InChi: 1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1
InChiKey: KZTSLHQKWLYYAC-GOSISDBHSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dual specificity phosphatase 3	Starlite/ChEMBL	References
Homo sapiens	protein tyrosine phosphatase, non-receptor type 1	Starlite/ChEMBL	References
Mus musculus	cell division cycle 25B	Starlite/ChEMBL	References
Homo sapiens	protein tyrosine phosphatase, non-receptor type 2	Starlite/ChEMBL	References
Homo sapiens	heparanase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	m-phase inducer phosphatase, putative	Get druggable targets OG5_127845	All targets in OG5_127845
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 mansoni	m-phase inducer phosphatase(cdc25)	Get druggable targets OG5_127845	All targets in OG5_127845
Schistosoma japonicum	ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative	Get druggable targets OG5_127845	All targets in OG5_127845
Trichomonas vaginalis	m-phase inducer phosphatase, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127845	All targets in OG5_127845
Entamoeba histolytica	rodhanase-like domain containing protein	Get druggable targets OG5_127845	All targets in OG5_127845
Onchocerca volvulus		Get druggable targets OG5_127845	All targets in OG5_127845
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Brugia malayi	Rhodanese-like domain containing protein	Get druggable targets OG5_127845	All targets in OG5_127845
Trichomonas vaginalis	cdc25c, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Brugia malayi	Protein-tyrosine phosphatase containing protein	Get druggable targets OG5_133865	All targets in OG5_133865
Trichomonas vaginalis	cdc25b, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Entamoeba histolytica	dual specificity protein phosphatase, putative	Get druggable targets OG5_134995	All targets in OG5_134995
Entamoeba histolytica	rodhanase-like domain containing protein	Get druggable targets OG5_127845	All targets in OG5_127845
Brugia malayi	Rhodanese-like domain containing protein	Get druggable targets OG5_127845	All targets in OG5_127845
Echinococcus granulosus	m phase inducer phosphatasecdc25	Get druggable targets OG5_127845	All targets in OG5_127845
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133865	All targets in OG5_133865
Candida albicans	similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. cerevisiae MIH1 (YMR036C)	Get druggable targets OG5_127845	All targets in OG5_127845
Candida albicans	almost identical to C terminus of CaP19.3071, which is similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. ce	Get druggable targets OG5_127845	All targets in OG5_127845
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127845	All targets in OG5_127845
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	Get druggable targets OG5_133865	All targets in OG5_133865
Onchocerca volvulus		Get druggable targets OG5_127845	All targets in OG5_127845
Trichomonas vaginalis	cdc25b, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	Get druggable targets OG5_127845	All targets in OG5_127845
Onchocerca volvulus		Get druggable targets OG5_127845	All targets in OG5_127845
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	Get druggable targets OG5_127845	All targets in OG5_127845
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127845	All targets in OG5_127845
Loa Loa (eye worm)	protein-tyrosine phosphatase	Get druggable targets OG5_133865	All targets in OG5_133865
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	Get druggable targets OG5_134995	All targets in OG5_134995
Entamoeba histolytica	rodhanase-like domain containing protein	Get druggable targets OG5_127845	All targets in OG5_127845
Onchocerca volvulus		Get druggable targets OG5_127845	All targets in OG5_127845
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127845	All targets in OG5_127845
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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	kinetoplastid-specific dual specificity phosphatase, putative	dual specificity phosphatase 3	185 aa	182 aa	25.3 %
Schistosoma mansoni	protein tyrosine phosphatase	protein tyrosine phosphatase, non-receptor type 2	410 aa	335 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0021	0.0135	0.0219
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0347	0.0565
Echinococcus granulosus	transcription factor Dp 1	0.0046	0.0493	0.0805
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0434	0.6132	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Brugia malayi	hypothetical protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Schistosoma mansoni	protein tyrosine phosphatase	0.0021	0.0135	0.0219
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0137	0.181	0.2952
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0021	0.0135	0.0219
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.0135	0.0219
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0021	0.0135	0.0219
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.0981	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0021	0.0135	0.0219
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0226	0.3106	0.3012
Entamoeba histolytica	rodhanase-like domain containing protein	0.0137	0.181	0.1699
Brugia malayi	hypothetical protein	0.0021	0.0135	0.0219
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0434	0.6132	1
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0137	0.181	0.2952
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0021	0.0135	0.0219
Trichomonas vaginalis	cdc25c, putative	0.0137	0.181	0.1699
Entamoeba histolytica	rodhanase-like domain containing protein	0.0137	0.181	0.1699
Onchocerca volvulus		0.0226	0.3106	0.7803
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0981	1
Entamoeba histolytica	rodhanase-like domain containing protein	0.0137	0.181	0.1699
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.007	0.0835	0.071
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.0981	0.1601
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Brugia malayi	Pre-SET motif family protein	0.0036	0.0347	0.0565
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0327	0.0534
Onchocerca volvulus	4.1 G protein, putative homolog	0.0021	0.0135	0.0338
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.007	0.0835	0.071
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0156	0.2094	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0137	0.181	0.4547
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0347	0.0565
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0434	0.6132	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0226	0.3106	0.5066
Onchocerca volvulus		0.0021	0.0135	0.0338
Trichomonas vaginalis	cdc25b, putative	0.0137	0.181	0.1699
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.0571	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.0571	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Brugia malayi	hypothetical protein	0.0021	0.0135	0.0219
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.0571	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0047	0.0509	0.5
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.0571	0.0442
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0137	0.181	0.1699
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0226	0.3106	0.3012
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1655	0.2699
Onchocerca volvulus		0.0021	0.0135	0.0338
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0036	0.0347	0.0871
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0021	0.0135	0.0219
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0226	0.3106	0.3012
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1655	0.2699
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0286	0.3981	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0347	0.0565
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0347	0.0565
Trichomonas vaginalis	cdc25b, putative	0.0137	0.181	0.1699
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0021	0.0135	0.0219
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0137	0.181	0.2952
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0226	0.3106	0.3012
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0981	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0981	1
Brugia malayi	Protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0226	0.3106	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Schistosoma mansoni	protein tyrosine phosphatase	0.0021	0.0135	0.0219
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0347	0.0565
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.0981	0.1601
Onchocerca volvulus		0.0021	0.0135	0.0338
Onchocerca volvulus		0.0021	0.0135	0.0338
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Onchocerca volvulus		0.0021	0.0135	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.0135	0.0219
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0021	0.0135	0.0219
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0226	0.3106	0.3012
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Brugia malayi	hypothetical protein	0.0021	0.0135	0.0219
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0021	0.0135	0.0219
Echinococcus multilocularis	transcription factor Dp 1	0.0046	0.0493	0.0805
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0835	0.8269
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0226	0.3106	0.3012
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0021	0.0135	0.0219
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.0981	0.1601
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Brugia malayi	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0021	0.0135	0.0219
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.0571	0.0442
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0021	0.0135	0.0219
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0835	0.8269
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0137	0.181	0.1699
Loa Loa (eye worm)	acetyltransferase	0.0175	0.2367	0.3861
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.2367	0.3861
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0021	0.0135	0.0219
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0571	0.0931
Giardia lamblia	Histone acetyltransferase GCN5	0.0047	0.0509	0.1258
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Brugia malayi	Rhodanese-like domain containing protein	0.0137	0.181	0.2952
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Schistosoma mansoni	pcd6 interacting protein-related	0.0021	0.0135	0.0219
Echinococcus multilocularis	hypothetical protein	0.0021	0.0135	0.0219
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0137	0.181	0.1699
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Brugia malayi	Rhodanese-like domain containing protein	0.0137	0.181	0.2952
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.3476	0.567
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0226	0.3106	0.5066
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0347	0.0565
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.0981	0.1601
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0226	0.3106	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Trichomonas vaginalis	m-phase inducer phosphatase, putative	0.0137	0.181	0.1699
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0347	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.0135	0.0219
Leishmania major	hypothetical protein, conserved	0.007	0.0835	0.8269
Onchocerca volvulus		0.0021	0.0135	0.0338
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0137	0.181	0.2952
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0137	0.181	0.4547
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0434	0.6132	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0434	0.6132	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0137	0.181	0.4547
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0021	0.0135	0.0219
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.07	1	1
Onchocerca volvulus		0.0021	0.0135	0.0338
Entamoeba histolytica	acetyltransferase, GNAT family	0.0047	0.0509	0.0379
Brugia malayi	Protein-tyrosine phosphatase 1	0.0021	0.0135	0.0219
Brugia malayi	Pre-SET motif family protein	0.0251	0.3476	0.567
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Onchocerca volvulus		0.0021	0.0135	0.0338
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.0981	0.0858
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Schistosoma mansoni	dual specificity protein phosphatase	0.0014	0.0027	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0137	0.181	0.4547
Onchocerca volvulus		0.0021	0.0135	0.0338
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.2367	0.3861
Onchocerca volvulus		0.0021	0.0135	0.0338
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.007	0.0835	0.8269
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0226	0.3106	0.3012
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Schistosoma mansoni	protein tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0021	0.0135	0.0219
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0021	0.0135	0.0219
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.2367	0.3861
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0021	0.0135	0.0219
Onchocerca volvulus		0.0021	0.0135	0.0338
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.0981	0.1601
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0021	0.0135	0.0219
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0226	0.3106	0.3012
Echinococcus multilocularis		0.0021	0.0135	0.0219
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0137	0.181	0.2952
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.2296	0.3744
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0021	0.0135	0.0219
Trichomonas vaginalis	mitotic inducer phosphatase CDC25, putative	0.0137	0.181	0.1699
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.3981	0.3899
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0021	0.0135	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0135	0.0219
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0347	0.0565

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.5 nM	Inhibition of human recombinant PTP1B	ChEMBL.	16545563
IC50 (binding)	= 2.2 uM	Inhibitory activity against cell division cycle 25B	ChEMBL.	11563920
IC50 (binding)	= 4 uM	Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate assessed as p-nitrophenol release after 30 mins	ChEMBL.	22940448
IC50 (binding)	= 4.1 uM	Inhibition of human recombinant PTP1B after 30 mins	ChEMBL.	18798681
IC50 (binding)	= 4.4 uM	Inhibition of human recombinant PTP1B assessed as p-nitorphenol production after 30 mins	ChEMBL.	20724155
IC50 (binding)	= 4.49 uM	Inhibition of PTP1B (unknown origin)	ChEMBL.	25819098
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B	ChEMBL.	17489632
IC50 (binding)	= 4.5 uM	Inhibition of PTP1B	ChEMBL.	16356713
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B	ChEMBL.	16580200
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B	ChEMBL.	17489632
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B	ChEMBL.	18053716
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B	ChEMBL.	18288807
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B	ChEMBL.	17125223
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B assessed as p-nitrophenol production	ChEMBL.	19836230
IC50 (binding)	= 4.5 uM	Inhibition of human recombinant PTP1B using p-NPP as substrate preincubated for 10 mins followed by substrate addition measured after 20 mins by microplate reader analysis	ChEMBL.	25907369
IC50 (binding)	= 4.6 uM	Inhibition of PTP1B (unknown origin) using p-nitrophenyl phosphate as substrate	ChEMBL.	24047800
IC50 (binding)	= 4.7 uM	Inhibition of human recombinant PTP1B	ChEMBL.	19008110
IC50 (binding)	= 4.7 uM	Inhibition of human recombinant PTP1B	ChEMBL.	19846295
IC50 (binding)	= 5.1 uM	Inhibitory activity against cell division cycle 25B	ChEMBL.	11563920
IC50 (binding)	= 5.1 uM	Inhibition of TCPTP (unknown origin) assessed as decrease in p-nitrophenol production from pNPP substrate after 30 mins by HTS7000 bioassay reader analysis	ChEMBL.	23387824
IC50 (binding)	= 5.62 uM	Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenol production from pNPP substrate after 30 mins by HTS7000 bioassay reader analysis	ChEMBL.	23387824
IC50 (binding)	= 10.2 uM	Inhibition of VHR DS-PTP	ChEMBL.	16356713
IC50 (binding)	= 11.6 uM	Inhibitory activity against vaccinia VH1-related phosphatase(VHR)	ChEMBL.	11563920
IC50 (binding)	= 11.7 uM	Inhibitory activity against vaccinia VH1-related phosphatase(VHR)	ChEMBL.	11563920
IC50 (binding)	= 17 uM	Inhibition of recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3)	ChEMBL.	23415087
IC50 (functional)	> 30 uM	Cytotoxicity against human MCF7 cells by WST-1 assay	ChEMBL.	19836230
IC50 (functional)	> 30 uM	Cytotoxicity against human tamoxifen-resistant MCF7 cells by WST-1 assay	ChEMBL.	19836230
IC50 (functional)	> 30 uM	Cytotoxicity against human adriamycin- resistant MCF7 cells by WST-1 assay	ChEMBL.	19836230
IC50 (functional)	> 30 uM	Cytotoxicity against human MDA-MB-231 cells by WST-1 assay	ChEMBL.	19836230
IC50 (binding)	= 45 uM	Inhibition of PTP1B by colorimetric assay	ChEMBL.	17596944
Inhibition (binding)	= 99.1 %	Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenol production from pNPP substrate at 25 ug/ml after 30 mins by HTS7000 bioassay reader analysis	ChEMBL.	23387824
Km (binding)		Activity at human recombinant PTP1B	ChEMBL.	19846295
Vmax (binding)		Activity at human recombinant PTP1B	ChEMBL.	19846295

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: CHEMBL426373

Bibliographic References

20 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 426134