TDR Targets

Basic information

Technical information

TDR Targets ID: 172676
Name: 3-chloro-4-(3-hydroxypropylsulfanyl)benzenesu lfonamide
MW: 281.779 | Formula: C9H12ClNO3S2
H donors: 2 H acceptors: 3 LogP: 1.3 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCCCSc1ccc(cc1Cl)S(=O)(=O)N
InChi: 1S/C9H12ClNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
InChiKey: CSTMINJJBKWREH-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

3-chloro-4-(3-hydroxypropylthio)benzenesulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania braziliensis	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	carbonic anhydrase 3	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei gambiense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus multilocularis	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Putative carbonic anhydrase 5 precursor	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania infantum	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania donovani	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania mexicana	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus granulosus	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase II	260 aa	259 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	tyrosine protein kinase shark	0.0682	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0682	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Schistosoma mansoni	hypothetical protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0401	0.2981	0.2981
Echinococcus granulosus	SH2 motif	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0682	1	1
Schistosoma mansoni	tensin-related	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0682	1	1
Schistosoma mansoni	shc transforming protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0401	0.2981	0.2981
Leishmania major	protein kinase, putative	0.0281	0	0.5
Schistosoma mansoni	suppressor of cytokine signaling	0.0401	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0401	0.2981	0.2981
Echinococcus granulosus	c src tyrosine kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0682	1	1
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0401	0.2981	0.2981
Echinococcus granulosus	signal transduction protein lnk realted	0.0401	0.2981	0.2981
Leishmania major	protein kinase, putative	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0682	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0401	0.2981	0.2981
Onchocerca volvulus		0.0401	0.2981	0.2981
Loa Loa (eye worm)	SH2 domain-containing protein	0.0401	0.2981	0.2981
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0682	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Leishmania major	hypothetical protein, conserved	0.0281	0	0.5
Plasmodium falciparum	tyrosine kinase-like protein	0.0281	0	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase shark	0.0682	1	1
Onchocerca volvulus		0.0401	0.2981	0.2981
Brugia malayi	Variant SH3 domain containing protein	0.0401	0.2981	0.2981
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0682	1	1
Plasmodium falciparum	tyrosine kinase-like protein	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0682	1	1
Giardia lamblia	Kinase, NEK	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0682	1	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0281	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0281	0	0.5
Plasmodium vivax	protein kinase, putative	0.0281	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0401	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0401	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.0682	1	1
Trypanosoma cruzi	protein kinase, putative	0.0281	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Onchocerca volvulus		0.0682	1	1
Trichomonas vaginalis	protein kinase atn1, putative	0.0281	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Schistosoma mansoni	tensin-related	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0682	1	1
Schistosoma mansoni	tyrosine kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0281	0	0.5
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Schistosoma mansoni	signal transduction protein lnk-related	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0401	0.2981	0.2981
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0682	1	1
Onchocerca volvulus		0.0401	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Echinococcus multilocularis	tyrosine kinase	0.0682	1	1
Echinococcus multilocularis	NCK adaptor protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0682	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0682	1	1
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0401	0.2981	0.2981
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0401	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0401	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0401	0.2981	0.2981
Schistosoma mansoni	tensin	0.0401	0.2981	0.2981
Schistosoma mansoni	SH2A	0.0401	0.2981	0.2981
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0	0.5
Brugia malayi	SH2 domain containing protein	0.0682	1	1
Echinococcus granulosus	tyrosine kinase	0.0682	1	1
Echinococcus multilocularis	SH2 domain containing protein 7	0.0401	0.2981	0.2981
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0682	1	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Toxoplasma gondii	protein kinase domain-containing protein	0.0281	0	0.5
Entamoeba histolytica	SH2 domain containing protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	SH2 motif	0.0401	0.2981	0.2981
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0401	0.2981	0.2981
Echinococcus multilocularis	c src tyrosine kinase	0.0682	1	1
Echinococcus granulosus	tyrosine kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Schistosoma mansoni	nck2/grb4	0.0401	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Schistosoma mansoni	tensin	0.0401	0.2981	0.2981
Brugia malayi	Tensin	0.0401	0.2981	0.2981
Brugia malayi	hypothetical protein	0.0682	1	1
Onchocerca volvulus		0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0682	1	1
Echinococcus multilocularis	SH2 motif	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis		0.0401	0.2981	0.2981
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0281	0	0.5
Trichomonas vaginalis	serine/threonine-protein kinase wnk, putative	0.0281	0	0.5
Trichomonas vaginalis	serine-threonine protein kinase, putative	0.0281	0	0.5
Onchocerca volvulus		0.0401	0.2981	0.2981
Echinococcus granulosus	SH2 motif	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0682	1	1
Schistosoma mansoni	GTPase activating protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Echinococcus granulosus	expressed conserved protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Onchocerca volvulus		0.0401	0.2981	0.2981
Loa Loa (eye worm)	STAT protein	0.0401	0.2981	0.2981
Onchocerca volvulus		0.0682	1	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	signal transduction protein lnk realted	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0401	0.2981	0.2981
Echinococcus multilocularis	tensin	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0281	0	0.5
Schistosoma mansoni	adapter molecule crk	0.0401	0.2981	0.2981
Brugia malayi	protein-tyrosine kinase	0.0682	1	1
Trichomonas vaginalis	TK family protein kinase	0.0281	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0401	0.2981	0.2981
Giardia lamblia	Kinase, NEK	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0401	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.0682	1	1
Entamoeba histolytica	protein kinase, putative	0.0401	0.2981	0.2981
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0401	0.2981	0.2981
Schistosoma mansoni	suppressor of cytokine signaling	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0281	0	0.5
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0281	0	0.5
Onchocerca volvulus		0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0281	0	0.5
Onchocerca volvulus		0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Onchocerca volvulus		0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Toxoplasma gondii	protein kinase	0.0281	0	0.5
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0401	0.2981	0.2981
Trichomonas vaginalis	STE family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0682	1	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0682	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0682	1	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Plasmodium falciparum	protein kinase, putative	0.0281	0	0.5
Giardia lamblia	Protein 21.1	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Brugia malayi	Sex muscle abnormal protein 5	0.0401	0.2981	0.2981
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Giardia lamblia	Kinase	0.0281	0	0.5
Trichomonas vaginalis	br serine/threonine-protein kinase, putative	0.0281	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0682	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Echinococcus granulosus	SH2 domain containing protein 7	0.0401	0.2981	0.2981
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0401	0.2981	0.2981
Echinococcus granulosus	growth factor receptor bound protein 2	0.0401	0.2981	0.2981
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0401	0.2981	0.2981
Schistosoma mansoni	tyrosine kinase	0.0682	1	1
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	N chimaerin	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus granulosus	N chimaerin	0.0401	0.2981	0.2981
Echinococcus granulosus	NCK adaptor protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Brugia malayi	Variant SH3 domain containing protein	0.0401	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0682	1	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	SH2 domain-containing protein	0.0401	0.2981	0.2981
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0401	0.2981	0.2981
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	protein tyrosine kinase, putative	0.0281	0	0.5
Brugia malayi	Protein kinase domain containing protein	0.0682	1	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0401	0.2981	0.2981
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0401	0.2981	0.2981
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0682	1	1
Echinococcus granulosus	hypothetical protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trypanosoma brucei	Pseudokinase, putative	0.0281	0	0.5
Echinococcus granulosus	tensin	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trypanosoma brucei	protein kinase, putative	0.0281	0	0.5
Brugia malayi	RhoGAP domain containing protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0682	1	1
Schistosoma mansoni	tyrosine kinase	0.0682	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0682	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	SHC transforming protein 3	0.0401	0.2981	0.2981
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0281	0	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0401	0.2981	0.2981
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0682	1	1
Echinococcus multilocularis	SH2 motif	0.0401	0.2981	0.2981
Plasmodium falciparum	protein kinase, putative	0.0281	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0682	1	1
Trypanosoma cruzi	protein kinase, putative	0.0281	0	0.5
Brugia malayi	SH2 domain containing protein	0.0401	0.2981	0.2981
Echinococcus granulosus	SHC transforming protein 3	0.0401	0.2981	0.2981
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0682	1	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0401	0.2981	0.2981
Trichomonas vaginalis	conserved hypothetical protein	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus multilocularis	tensin	0.0401	0.2981	0.2981
Loa Loa (eye worm)	TK protein kinase	0.0682	1	1
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Echinococcus granulosus	tyrosine protein kinase Srms	0.0682	1	1
Loa Loa (eye worm)	hypothetical protein	0.0682	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Schistosoma mansoni	hypothetical protein	0.0401	0.2981	0.2981
Toxoplasma gondii	STE kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0682	1	1
Brugia malayi	SH2 domain containing protein	0.0682	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Brugia malayi	hypothetical protein	0.0401	0.2981	0.2981
Onchocerca volvulus		0.0682	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	SRC-1	0.0682	1	1
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0401	0.2981	0.2981
Trichomonas vaginalis	AGC family protein kinase	0.0281	0	0.5
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0401	0.2981	0.2981
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0401	0.2981	0.2981
Brugia malayi	SRC-1	0.0682	1	1
Schistosoma mansoni	vav2	0.0401	0.2981	0.2981
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0682	1	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0401	0.2981	0.2981
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0682	1	1
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0281	0	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0281	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Loa Loa (eye worm)	hypothetical protein	0.0401	0.2981	0.2981
Schistosoma mansoni	tensin	0.0401	0.2981	0.2981

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (functional)	= 9 nM	Inhibitory activity against human carbonic anhydrase II using pH stat assay	ChEMBL.	1920359
IC50 (functional)	= 9 nM	Inhibitory activity against human carbonic anhydrase II using pH stat assay	ChEMBL.	1920359
logD (ADMET)	= 39	Partition coefficient (logD7.4)	ChEMBL.	1920359
pKa	= 9.45000000000001	Dissociation constant (pKa) (determined in 30% EtOH/water)	ChEMBL.	1920359
S	= 0.28 mg ml-1	Solubility (buffer pH 7.4)	ChEMBL.	1920359

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: CHEMBL105607
PubChem: 13960375

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 172676