TDR Targets

Basic information

Technical information

TDR Targets ID: 113794
Name: (4-acetamidophenyl) sulfamate
MW: 230.241 | Formula: C8H10N2O4S
H donors: 2 H acceptors: 3 LogP: -0.03 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)OS(=O)(=O)N
InChi: 1S/C8H10N2O4S/c1-6(11)10-7-2-4-8(5-3-7)14-15(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
InChiKey: ALXUQOFCHVUEPV-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

sulfamic acid (4-acetamidophenyl) ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	carbonic anhydrase IX	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
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
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
Echinococcus granulosus	carbonic anhydrase II	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
Leishmania major	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	carbonic anhydrase-like protein	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	Putative carbonic anhydrase 5 precursor	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
Leishmania donovani	carbonic anhydrase-like protein	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 japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	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
Leishmania infantum	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
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	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
Trypanosoma brucei	carbonic anhydrase-like protein	carbonic anhydrase I	261 aa	281 aa	25.3 %
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
Leishmania major	carbonic anhydrase-like protein	0.0214	1	1
Loa Loa (eye worm)	RNA binding protein	0.0144	0.6437	0.6437
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.2713	0.2534
Entamoeba histolytica	hypothetical protein	0.004	0.118	1
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.4248	0.4203
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.2713	0.2656
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	1	1
Echinococcus multilocularis	dna polymerase eta	0.0021	0.024	0.0164
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.1151	0.1151
Schistosoma mansoni	hypothetical protein	0.0189	0.8702	0.8691
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.024	0.0164
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0078	0.0078
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.2076	0.2076
Echinococcus granulosus	carbonic anhydrase	0.0101	0.4248	0.4203
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.173	0.1666
Entamoeba histolytica	hypothetical protein	0.004	0.118	1
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.6437	0.6409
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.6437	0.6409
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.6437	0.6409
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0705	0.0705
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.4248	0.4248
Schistosoma mansoni	hypothetical protein	0.0101	0.4248	0.4203
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.024	0.0164
Echinococcus granulosus	geminin	0.0189	0.8702	0.8691
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0862	0.0791
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0734	0.0662
Brugia malayi	jmjC domain containing protein	0.0041	0.1222	0.1222
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.6437	0.6409
Trypanosoma brucei	carbonic anhydrase-like protein	0.0214	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.173	0.1666
Loa Loa (eye worm)	hypothetical protein	0.0058	0.2076	0.2076
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.2713	1
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.4248	0.4203
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.2713	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.4248	0.4248
Entamoeba histolytica	hypothetical protein	0.004	0.118	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.2076	0.2076
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.4248	0.4248
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.1222	0.1153
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.173	0.1666
Schistosoma mansoni	hypothetical protein	0.0039	0.1151	0.1082
Schistosoma mansoni	hypothetical protein	0.004	0.118	0.1111
Loa Loa (eye worm)	carbonic anhydrase 3	0.0214	1	1
Echinococcus granulosus	carbonic anhydrase	0.0101	0.4248	0.4203
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0214	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4248	0.4248
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0111	0.4752	0.4711
Echinococcus multilocularis	musashi	0.0031	0.0734	0.0662
Echinococcus granulosus	carbonic anhydrase II	0.0214	1	1
Brugia malayi	hypothetical protein	0.004	0.118	0.118
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0078	0.0078
Onchocerca volvulus	Alhambra homolog	0.0034	0.0862	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.173	0.1666
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0078	0.0078
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.024	0.0164
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.0862	0.0791
Schistosoma mansoni	lamin	0.0031	0.0734	0.0662
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.1222	0.1153
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.2713	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0734	0.0734
Echinococcus granulosus	carbonic anhydrase	0.0101	0.4248	0.4203
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.118	0.1111
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.173	0.173
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.024	0.5
Echinococcus multilocularis	lamin	0.0031	0.0734	0.0662
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.4248	0.4203
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.2713	0.2656
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.4248	0.4203
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.1222	0.1153
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0862	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.0214	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0144	0.6437	0.6409
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.173	0.1666
Brugia malayi	PHD-finger family protein	0.0034	0.0862	0.0862
Brugia malayi	RNA binding protein	0.0144	0.6437	0.6437
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0144	0.6437	0.6437
Schistosoma mansoni	jumonji domain containing protein	0.0088	0.3601	0.3551
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.4248	0.4203
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.024	0.0164
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.173	0.1666
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.1222	0.1222
Schistosoma mansoni	hypothetical protein	0.0189	0.8702	0.8691
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0862	0.0791
Entamoeba histolytica	hypothetical protein	0.004	0.118	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1151	0.1151
Plasmodium falciparum	carbonic anhydrase	0.0101	0.4248	1
Echinococcus granulosus	jumonji domain containing protein	0.0047	0.1532	0.1466
Giardia lamblia	PHD finger protein 15	0.0034	0.0862	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.4248	0.4248
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0734	0.0734
Echinococcus multilocularis	geminin	0.0189	0.8702	0.8691
Schistosoma mansoni	carbonic anhydrase	0.0101	0.4248	0.4203
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4248	0.4248
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.6437	0.6409
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0734	0.0734
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0078	0.0078
Schistosoma mansoni	DNA polymerase eta	0.0021	0.024	0.0164
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.024	0.0164
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0111	0.4752	0.4711
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.1222	0.1153
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.2713	1
Echinococcus multilocularis	jumonji domain containing protein	0.0047	0.1532	0.1466
Echinococcus multilocularis	lamin dm0	0.0031	0.0734	0.0662
Loa Loa (eye worm)	jmjC domain-containing protein	0.007	0.2683	0.2683
Brugia malayi	TAR-binding protein	0.0144	0.6437	0.6437
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.4248	0.4248
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.024	0.024
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.2084	0.2084
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.2076	0.2076
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.2713	1
Echinococcus multilocularis	peregrin	0.0034	0.0862	0.0791
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.118	0.1111
Brugia malayi	RNA recognition motif domain containing protein	0.0144	0.6437	0.6437
Brugia malayi	Bromodomain containing protein	0.0034	0.0862	0.0862
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.118	0.1111
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.173	0.173
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.4248	0.4203
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0734	0.0734
Brugia malayi	intermediate filament protein	0.0031	0.0734	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0862	0.0862
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.173	0.1666
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.2713	0.2656
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.2713	0.5467
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.024	0.024
Echinococcus granulosus	dna polymerase kappa	0.0021	0.024	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0021	0.024	0.024
Loa Loa (eye worm)	TAR-binding protein	0.0144	0.6437	0.6437
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0101	0.4248	0.4248
Echinococcus granulosus	dna polymerase eta	0.0021	0.024	0.0164
Brugia malayi	jmjC domain containing protein	0.0111	0.4752	0.4752
Echinococcus granulosus	peregrin	0.0034	0.0862	0.0791
Echinococcus granulosus	lamin	0.0031	0.0734	0.0662
Schistosoma mansoni	hypothetical protein	0.0034	0.0862	0.0791
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.024	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.024	0.024
Echinococcus granulosus	lamin dm0	0.0031	0.0734	0.0662
Toxoplasma gondii	hypothetical protein	0.0101	0.4248	1
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0862	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4248	0.4248
Echinococcus granulosus	tar DNA binding protein	0.0144	0.6437	0.6409
Echinococcus granulosus	intermediate filament protein	0.0031	0.0734	0.0662
Schistosoma mansoni	lamin	0.0031	0.0734	0.0662
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0214	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 18 nM	Inhibition of human carbonic anhydrase II	ChEMBL.	12747791
Ki (binding)	= 18 nM	Inhibition of human carbonic anhydrase II	ChEMBL.	12747791
Ki (binding)	= 37 nM	Inhibition of human recombinant carbonic anhydrase I	ChEMBL.	12747791
Ki (binding)	= 37 nM	Inhibition of human recombinant carbonic anhydrase I	ChEMBL.	12747791
Ki (binding)	= 45 nM	Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX.	ChEMBL.	12747791
Ki (binding)	= 45 nM	Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX.	ChEMBL.	12747791

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: CHEMBL68590
PubChem: 11031678

Bibliographic References

1 literature reference was 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 113794