TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 297.327 | Formula: C13H15NO5S
H donors: 1 H acceptors: 3 LogP: 2.38 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(C)(C)C)Oc1ccc2c(c1)oc(c2)S(=O)(=O)N
InChi: 1S/C13H15NO5S/c1-13(2,3)12(15)18-9-5-4-8-6-11(20(14,16)17)19-10(8)7-9/h4-7H,1-3H3,(H2,14,16,17)
InChiKey: HHCCIHUEMGXQMD-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	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
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
Trypanosoma brucei gambiense	carbonic anhydrase-like protein	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
Trypanosoma congolense	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
Leishmania mexicana	carbonic anhydrase-like 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
Leishmania braziliensis	carbonic anhydrase-like protein	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 japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	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
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	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
Loa Loa (eye worm)	carbonic anhydrase 3	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
Echinococcus multilocularis	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
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0083	0.0107
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0208	0.0809	0.3079
Entamoeba histolytica	protein kinase, putative	0.0241	0.0946	0.4098
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.2437	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0024	0.0048	0.0063
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.0014	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0015	0.0014	0.0018
Entamoeba histolytica	protein kinase , putative	0.0241	0.0946	0.4098
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0015	0.0014	0.0018
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0018	0.0025	0.0033
Mycobacterium ulcerans	thymidylate synthase	0.1335	0.5455	0.7061
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0015	0.0014	0.0018
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.004	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0034	0.009	0.0116
Entamoeba histolytica	hypothetical protein	0.004	0.0116	0.0404
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0034	0.009	0.0116
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0241	0.0946	0.0924
Brugia malayi	ecdysteroid receptor	0.0015	0.0014	0.0018
Echinococcus multilocularis	beta hexosaminidase subunit alpha	0.0352	0.1401	0.1813
Toxoplasma gondii	isocitrate dehydrogenase	0.0018	0.0024	0.0024
Brugia malayi	hypothetical protein	0.0028	0.0067	0.0087
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0015	0.0014	0.0018
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0024	0.0048	0.0063
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0018	0.0025	0.0025
Brugia malayi	beta-NAC-like protein	0.0039	0.0112	0.0144
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0018	0.0025	0.0033
Schistosoma mansoni	hypothetical protein	0.0013	0.0003	0.0004
Loa Loa (eye worm)	thymidylate synthase	0.1335	0.5455	0.7061
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.004	0.004
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.0014	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.0014	0.0018
Schistosoma mansoni	nuclear hormone receptor	0.0015	0.0014	0.0018
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0024	0.0031
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0018	0.0025	0.0002
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0018	0.0025	0.0025
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0241	0.0946	0.0924
Entamoeba histolytica	beta-N-acetylhexosaminidase, beta subunit	0.0563	0.2271	1
Onchocerca volvulus		0.0054	0.0172	0.0291
Echinococcus multilocularis	dihydrofolate reductase	0.1886	0.7726	1
Schistosoma mansoni	carbonic anhydrase	0.0034	0.009	0.0116
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0147	0.0558	0.0723
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.0131	0.049	0.0634
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0018	0.0025	0.0025
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.1335	0.5455	0.7061
Echinococcus granulosus	tumor protein p63	0.0376	0.15	0.1942
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.1886	0.7726	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0018	0.0025	0.0033
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0015	0.0014	0.0018
Onchocerca volvulus		0.0024	0.0048	0.0063
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0018	0.0025	0.0033
Schistosoma mansoni	retinoic acid receptor RXR	0.0015	0.0014	0.0018
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0015	0.0014	0.0018
Brugia malayi	serine/threonine kinase 12	0.0241	0.0946	0.1224
Echinococcus multilocularis	tumor protein p63	0.0376	0.15	0.1942
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0024	0.0048	0.0048
Leishmania major	protein kinase, putative	0.0241	0.0946	0.0946
Echinococcus granulosus	geminin	0.0188	0.0728	0.0943
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0034	0.009	0.0116
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0018	0.0025	0.0033
Schistosoma mansoni	hypothetical protein	0.004	0.0116	0.015
Toxoplasma gondii	isocitrate dehydrogenase	0.0018	0.0024	0.0024
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0024	0.0031
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0034	0.009	0.0116
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0018	0.0025	0.0033
Echinococcus multilocularis	carbonic anhydrase	0.0034	0.009	0.0116
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0015	0.0014	0.0018
Trypanosoma brucei	transcription factor BTF3, putative	0.0039	0.0112	0.0112
Echinococcus granulosus	transcription factor btf3	0.0039	0.0112	0.0144
Loa Loa (eye worm)	dihydrofolate reductase	0.1886	0.7726	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.0014	0.0018
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0208	0.0809	0.3079
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0015	0.0014	0.0018
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0208	0.0809	0.1047
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0018	0.0025	0.0033
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Loa Loa (eye worm)	carbonic anhydrase 3	0.0147	0.0558	0.0723
Schistosoma mansoni	hypothetical protein	0.0188	0.0728	0.0943
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0067	0.0067
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0018	0.0025	0.0033
Entamoeba histolytica	hypothetical protein	0.004	0.0116	0.0404
Trypanosoma brucei	carbonic anhydrase-like protein	0.0147	0.0558	0.0558
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Leishmania major	hypothetical protein, conserved	0.0028	0.0067	0.0067
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0216	0.0216
Trypanosoma cruzi	membrane transporter protein, putative	0.0038	0.0108	0.0108
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0241	0.0946	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0263	0.1035	0.134
Entamoeba histolytica	protein kinase, putative	0.0241	0.0946	0.4098
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0018	0.0025	0.0033
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0216	0.0216
Brugia malayi	hypothetical protein	0.0263	0.1035	0.134
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0067	0.0067
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0018	0.0025	0.0033
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0208	0.0809	0.3079
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0014	0.0018
Mycobacterium tuberculosis	Possible oxidoreductase	0.0018	0.0025	0.0033
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0015	0.0014	0.0018
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0112	0.0112
Echinococcus granulosus	FTZ F1 alpha	0.0015	0.0014	0.0018
Echinococcus multilocularis	ecdysone induced protein 78C	0.0015	0.0014	0.0018
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0022	0.004	0.0052
Echinococcus multilocularis	carbonic anhydrase II	0.0147	0.0558	0.0723
Mycobacterium tuberculosis	Hypothetical protein	0.0635	0.257	0.3326
Schistosoma mansoni	cpg binding protein	0.0034	0.0091	0.0117
Schistosoma mansoni	beta-hexosaminidase B	0.0563	0.2271	0.294
Echinococcus granulosus	cpg binding protein	0.0034	0.0091	0.0117
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0015	0.0014	0.0018
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0034	0.009	0.0116
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0018	0.0025	0.0033
Trypanosoma brucei	membrane transporter protein, putative	0.0038	0.0108	0.0108
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0015	0.0014	0.0018
Entamoeba histolytica	hypothetical protein	0.004	0.0116	0.0404
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0201	0.0201
Brugia malayi	serine/threonine protein kinase 6	0.0241	0.0946	0.1224
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0018	0.0025	0.0033
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Brugia malayi	steroid hormone receptor	0.0015	0.0014	0.0018
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0018	0.0025	0.0033
Schistosoma mansoni	hypothetical protein	0.0034	0.009	0.0116
Schistosoma mansoni	cpg binding protein	0.0034	0.0091	0.0117
Leishmania major	pteridine reductase 1	0.0424	0.1698	0.1698
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0112	0.0339
Chlamydia trachomatis	dihydrofolate reductase	0.1886	0.7726	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.2437	1	1
Echinococcus granulosus	thymidylate synthase	0.1335	0.5455	0.7061
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0241	0.0946	0.1224
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0018	0.0025	0.0002
Toxoplasma gondii	NAC domain-containing protein	0.0039	0.0112	0.0112
Schistosoma mansoni	thyroid hormone receptor	0.0015	0.0014	0.0018
Trichomonas vaginalis	AGC family protein kinase	0.0241	0.0946	0.3617
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0147	0.0558	0.0723
Leishmania major	hypothetical protein, conserved	0.0038	0.0108	0.0108
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Onchocerca volvulus		0.1335	0.5455	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0024	0.0024
Echinococcus granulosus	dnaJ subfamily B	0.0455	0.1827	0.2364
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0015	0.0014	0.0018
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0015	0.0014	0.0018
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0018	0.0025	0.0033
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0018	0.0025	0.0002
Brugia malayi	Cytochrome P450 family protein	0.0022	0.004	0.0052
Echinococcus multilocularis	geminin	0.0188	0.0728	0.0943
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0208	0.0809	0.1047
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0018	0.0025	0.0025
Echinococcus granulosus	aurora kinase A	0.0241	0.0946	0.1224
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0015	0.0014	0.0018
Trichomonas vaginalis	AGC family protein kinase	0.0241	0.0946	0.3617
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0083	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0024	0.0031
Schistosoma mansoni	hypothetical protein	0.0054	0.0172	0.0223
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0172	0.0223
Entamoeba histolytica	transcription factor BTF3, putative	0.0039	0.0112	0.0384
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0131	0.049	0.1825
Plasmodium falciparum	carbonic anhydrase	0.0034	0.009	0.0066
Loa Loa (eye worm)	CYP4Cod1	0.0022	0.004	0.0052
Loa Loa (eye worm)	steroid hormone receptor	0.0015	0.0014	0.0018
Schistosoma mansoni	coup transcription factor	0.0015	0.0014	0.0018
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0024	0.0024
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0018	0.0025	0.0025
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0018	0.0025	0.5
Echinococcus granulosus	carbonic anhydrase	0.0034	0.009	0.0116
Schistosoma mansoni	hypothetical protein	0.0455	0.1827	0.2364
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0112	0.0339
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0018	0.0025	0.0033
Mycobacterium ulcerans	short chain dehydrogenase	0.0024	0.0048	0.0063
Echinococcus multilocularis	beta hexosaminidase subunit beta	0.0563	0.2271	0.294
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0015	0.0014	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0015	0.0014	0.0018
Trypanosoma brucei	cytochrome P450, putative	0.0022	0.004	0.004
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0018	0.0025	0.0025
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0216	0.0216
Leishmania major	carbonic anhydrase-like protein	0.0147	0.0558	0.0558
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0015	0.0014	0.0018
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0014	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0131	0.049	0.0634
Trypanosoma cruzi	cytochrome P450, putative	0.0022	0.004	0.004
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0352	0.1401	0.5405
Mycobacterium tuberculosis	Possible oxidoreductase	0.0018	0.0025	0.0033
Leishmania major	basic transcription factor 3a, putative	0.0039	0.0112	0.0112
Loa Loa (eye worm)	ICD-1 protein	0.0039	0.0112	0.0144
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0352	0.1401	0.5405
Onchocerca volvulus		0.0032	0.0083	0.0127
Echinococcus multilocularis	FTZ F1 alpha	0.0015	0.0014	0.0018
Brugia malayi	nuclear receptor NHR-88	0.0015	0.0014	0.0018
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.1886	0.7726	1
Echinococcus multilocularis	thymidylate synthase	0.1335	0.5455	0.7061
Echinococcus multilocularis	survival motor neuron protein 1	0.0263	0.1035	0.134
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0018	0.0025	0.5
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0208	0.0809	0.3489
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0067	0.0043
Echinococcus granulosus	multidrug and toxin extrusion protein 2	0.0038	0.0108	0.0139
Brugia malayi	nuclear hormone receptor	0.0015	0.0014	0.0018
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0116	0.015
Schistosoma mansoni	hypothetical protein	0.0188	0.0728	0.0943
Echinococcus granulosus	dihydrofolate reductase	0.1886	0.7726	1
Schistosoma mansoni	carbonic anhydrase-related	0.0034	0.009	0.0116
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0015	0.0014	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0015	0.0014	0.0018
Echinococcus multilocularis	transcription factor btf3	0.0039	0.0112	0.0144
Schistosoma mansoni	cpg binding protein	0.0032	0.0083	0.0107
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.0131	0.049	0.0634
Echinococcus granulosus	beta hexosaminidase subunit alpha	0.0352	0.1401	0.1813
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0015	0.0014	0.0018
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0015	0.0014	0.0018
Echinococcus granulosus	survival motor neuron protein 1	0.0263	0.1035	0.134
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0067	0.0043
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0015	0.0014	0.0018
Brugia malayi	hypothetical protein	0.0635	0.257	0.3326
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0018	0.0025	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0108	0.0108
Brugia malayi	Steroid receptor seven-up type 2	0.0015	0.0014	0.0018
Brugia malayi	dihydrofolate reductase family protein	0.1886	0.7726	1
Trichomonas vaginalis	AGC family protein kinase	0.0241	0.0946	0.3617
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0034	0.009	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0067	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0241	0.0946	0.4098
Plasmodium vivax	basic transcription factor 3b, putative	0.0039	0.0112	0.0088
Brugia malayi	hypothetical protein	0.0018	0.0026	0.0034
Echinococcus granulosus	ecdysone induced protein 78C	0.0015	0.0014	0.0018
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0241	0.0946	0.4098
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0208	0.0809	0.1047
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0024	0.0024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0015	0.0014	0.0018
Brugia malayi	Cytochrome P450 family protein	0.0022	0.004	0.0052
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.2437	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0067	0.0067
Loa Loa (eye worm)	AUR protein kinase	0.0241	0.0946	0.1224
Trypanosoma brucei	pteridine reductase 1	0.0418	0.1676	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Onchocerca volvulus		0.0208	0.0809	0.1461
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0241	0.0946	0.4098
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0018	0.0025	0.0033
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0024	0.0031
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0352	0.1401	0.5405
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Entamoeba histolytica	beta-N-acetylhexosaminidase, alpha subunit	0.0563	0.2271	1
Leishmania major	hypothetical protein, conserved	0.0064	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0015	0.0014	0.0018
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0015	0.0014	0.0018
Trypanosoma brucei	MATE efflux family protein, putative	0.0038	0.0108	0.0108
Schistosoma mansoni	protein kinase	0.0241	0.0946	0.1224
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0024	0.0031
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0015	0.0014	0.0018
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0024	0.0031
Echinococcus multilocularis	multidrug and toxin extrusion protein 2	0.0038	0.0108	0.0139
Loa Loa (eye worm)	AUR protein kinase	0.0241	0.0946	0.1224
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0116	0.015
Brugia malayi	photoreceptor-specific nuclear receptor	0.0015	0.0014	0.0018
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0108	0.0108
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0018	0.0025	0.0033
Schistosoma mansoni	carbonic anhydrase-related	0.0034	0.009	0.0116
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0147	0.0558	0.0723
Schistosoma mansoni	serine/threonine protein kinase	0.0241	0.0946	0.1224
Schistosoma mansoni	RAR-like nuclear receptor	0.0015	0.0014	0.0018
Trypanosoma cruzi	transcription factor btf3, putative	0.0039	0.0112	0.0112
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0024	0.0048	0.0063
Entamoeba histolytica	beta-N-acetylhexosaminidase, putative	0.0563	0.2271	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0208	0.0809	0.3079
Onchocerca volvulus		0.0018	0.0025	0.0021
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0015	0.0014	0.0018
Brugia malayi	hypothetical protein	0.004	0.0116	0.015
Echinococcus multilocularis	dnaJ subfamily B	0.0455	0.1827	0.2364
Mycobacterium ulcerans	oxidoreductase	0.0018	0.0025	0.0033
Echinococcus multilocularis	carbonic anhydrase	0.0034	0.009	0.0116
Trichomonas vaginalis	beta-hexosaminidase, putative	0.0352	0.1401	0.5405
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0034	0.009	0.0116
Entamoeba histolytica	hypothetical protein	0.004	0.0116	0.0404
Brugia malayi	Dihydrofolate reductase	0.1886	0.7726	1
Toxoplasma gondii	aurora kinase	0.0241	0.0946	0.0946
Leishmania major	oxidoreductase-like protein	0.0024	0.0048	0.0048
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.0003	0.0004
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0018	0.0025	0.0025
Toxoplasma gondii	hypothetical protein	0.0034	0.009	0.009
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.1886	0.7726	1
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0018	0.0025	0.0033
Schistosoma mansoni	dihydrofolate reductase	0.1886	0.7726	1
Trichomonas vaginalis	conserved hypothetical protein	0.0635	0.257	1
Giardia lamblia	Aurora kinase	0.0241	0.0946	1
Schistosoma mansoni	carbonic anhydrase-related	0.0034	0.009	0.0116
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0112	0.0339
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0024	0.0048	0.0048
Plasmodium falciparum	basic transcription factor 3b, putative	0.0039	0.0112	0.0088
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.1335	0.5455	0.7061
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Schistosoma mansoni	transcription factor btf3	0.0039	0.0112	0.0144
Entamoeba histolytica	hypothetical protein	0.0039	0.0112	0.0384
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0024	0.0031
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0018	0.0024	0.0024
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0147	0.0558	0.0723
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0208	0.0809	0.3079
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0208	0.0809	0.3079
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.0231	0.0298
Schistosoma mansoni	hypothetical protein	0.0058	0.0188	0.0244
Entamoeba histolytica	beta-N-acetylhexosaminidase, putative	0.0563	0.2271	1
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0018	0.0025	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0015	0.0014	0.0018
Trypanosoma cruzi	aurora B kinase, putative	0.0241	0.0946	0.0946
Trichomonas vaginalis	AGC family protein kinase	0.0241	0.0946	0.3617
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Entamoeba histolytica	protein kinase domain containing protein	0.0241	0.0946	0.4098
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0018	0.0025	0.0033
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0216	0.0748
Brugia malayi	Nuclear hormone receptor-like 1	0.0015	0.0014	0.0018
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Loa Loa (eye worm)	AUR protein kinase	0.0241	0.0946	0.1224
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0015	0.0014	0.0018
Leishmania major	cytochrome p450-like protein	0.0022	0.004	0.004
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0147	0.0558	0.0558
Trypanosoma brucei	oxidoreductase-like protein	0.0024	0.0048	0.0048
Schistosoma mansoni	beta-hexosaminidase B	0.0563	0.2271	0.294
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0064	0.0216	0.0748
Echinococcus granulosus	beta hexosaminidase subunit beta	0.0563	0.2271	0.294
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0178	0.023
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0108	0.0108
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.2437	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0015	0.0014	0.0018
Leishmania major	hypothetical protein, conserved	0.0038	0.0108	0.0108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0015	0.0014	0.0018
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0108	0.0108
Echinococcus multilocularis	aurora kinase A	0.0241	0.0946	0.1224
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0208	0.0809	0.3489
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0108	0.0108
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.0003	0.0004
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0024	0.0031
Echinococcus multilocularis	Multi antimicrobial extrusion protein MatE	0.0035	0.0094	0.0122
Trypanosoma brucei	membrane transporter protein, putative	0.0038	0.0108	0.0108
Echinococcus multilocularis	cpg binding protein	0.0034	0.0091	0.0117
Schistosoma mansoni	multidrug resistance protein	0.0038	0.0108	0.0139
Brugia malayi	Glycosyl hydrolase family 20, catalytic domain containing protein	0.0563	0.2271	0.294
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0144	0.0545	0.0705
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0015	0.0014	0.0018
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0635	0.257	0.257
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0034	0.009	0.0116
Echinococcus granulosus	carbonic anhydrase	0.0034	0.009	0.0116
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0018	0.0025	0.0033
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0024	0.0048	0.0063
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0024	0.0031
Brugia malayi	serine/threonine-protein kinase 6	0.0241	0.0946	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0015	0.0014	0.0018
Trypanosoma brucei	aurora B kinase	0.0241	0.0946	0.0946
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0172	0.0223
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0018	0.0024	0.0031
Trypanosoma brucei	membrane transporter protein, putative	0.0038	0.0108	0.0108
Loa Loa (eye worm)	oxidoreductase	0.0018	0.0025	0.0033
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0147	0.0558	0.0558
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0015	0.0014	0.0018
Schistosoma mansoni	dihydropteridine reductase	0.0018	0.0025	0.0033
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0067	0.0043
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.004	0.0052
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.1335	0.5455	0.7061
Echinococcus multilocularis	carbonic anhydrase	0.0034	0.009	0.0116
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0018	0.0025	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0015	0.0014	0.0018
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0178	0.023
Loa Loa (eye worm)	glycosyl hydrolase family 20	0.0563	0.2271	0.294
Echinococcus granulosus	carbonic anhydrase II	0.0147	0.0558	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0131	0.049	0.0634
Mycobacterium ulcerans	short chain dehydrogenase	0.0018	0.0025	0.0033
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0018	0.0025	0.0033
Brugia malayi	thymidylate synthase	0.1335	0.5455	0.7061
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0014	0.0018
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0018	0.0025	0.0033
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.2437	1	1
Echinococcus granulosus	carbonic anhydrase	0.0034	0.009	0.0116
Onchocerca volvulus	Hexosaminidase D homolog	0.0131	0.049	0.0875
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0018	0.0024	0.0024
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0015	0.0014	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0025	0.0033
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0024	0.0031
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0116	0.015
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0018	0.0025	0.0002
Onchocerca volvulus		0.0055	0.0178	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0034	0.009	0.0116
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0018	0.0025	0.0025
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0147	0.0558	0.0723

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 0.92	Calculated partition coefficient (clogP) (MlogP)	ChEMBL.	12166932
I50 (binding)	= 7 nM	In vitro inhibition of human carbonic anhydrase II (0.1 nM).	ChEMBL.	2299640
IC50 (binding)	= 3 nM	Inhibitory activity against carbonic anhydrase II	ChEMBL.	12166932
IC50 (binding)	= 3 nM	Inhibitory activity against carbonic anhydrase II	ChEMBL.	12166932
IC50 (binding)	= 7 nM	In vitro inhibition of human carbonic anhydrase II (0.1 nM).	ChEMBL.	2299640
Max IOP reduction (functional)	= -5.3 mmHg	In vivo intraocular pressure reduction was determined in rabbits after effective topical dose (duration expressed as number of time points, P<=0.05)	ChEMBL.	2299640
METD (functional)	= 0.5 %	METD(minimum effective topical dose of the compound) for ocular hypotensive activity in alpha-CT-rabbits	ChEMBL.	2299640

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: CHEMBL121086

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 210699