TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.409 | Formula: C18H17N3O6S
H donors: 3 H acceptors: 4 LogP: 1.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)oc(=O)cc2CC(=O)NNc1ccc(cc1)S(=O)(=O)N
InChi: 1S/C18H17N3O6S/c1-26-13-4-7-15-11(9-18(23)27-16(15)10-13)8-17(22)21-20-12-2-5-14(6-3-12)28(19,24)25/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H2,19,24,25)
InChiKey: NQHHVWHZFBPDRH-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 IX	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase XII	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
Trypanosoma brucei gambiense	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
Leishmania major	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 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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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
Trypanosoma cruzi	carbonic anhydrase-like protein, 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
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], 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
Leishmania braziliensis	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
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
Brugia malayi	Eukaryotic-type carbonic anhydrase family 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	carbonic anhydrase XII	354 aa	295 aa	23.1 %
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
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0199	0.0296
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0025	0.0199	0.0199
Schistosoma mansoni	carbonic anhydrase	0.0134	0.2407	0.2407
Onchocerca volvulus		0.0046	0.0629	0.9273
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0046	0.0629	1
Echinococcus multilocularis	carbonic anhydrase II	0.0248	0.4705	0.4705
Brugia malayi	hypothetical protein	0.002	0.0093	0.0138
Brugia malayi	nuclear receptor NHR-88	0.0025	0.0199	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Brugia malayi	Carboxylesterase family protein	0.0046	0.0629	0.0933
Brugia malayi	laminin alpha chain	0.0024	0.0181	0.0269
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.2407	0.357
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.2407	0.357
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0025	0.0199	0.0199
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0199	0.0296
Schistosoma mansoni	coup transcription factor	0.0025	0.0199	0.0199
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0093	0.0093
Brugia malayi	Carboxylesterase family protein	0.0046	0.0629	0.0933
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0025	0.0199	0.0199
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0025	0.0199	0.184
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0046	0.0629	0.0629
Schistosoma mansoni	BC026374 protein (S09 family)	0.0046	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.002	0.0093	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0358	0.0531
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0025	0.0199	0.0199
Schistosoma mansoni	lipoxygenase	0.0056	0.0816	0.0816
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Echinococcus granulosus	ecdysone induced protein 78C	0.0025	0.0199	0.0199
Loa Loa (eye worm)	carboxylesterase	0.0046	0.0629	0.0933
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0349	0.6742	1
Onchocerca volvulus	Bile acid receptor homolog	0.0025	0.0199	0.184
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0025	0.0199	0.0296
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0199	0.0199
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.4705	1
Loa Loa (eye worm)	abnormal epIthelia family member	0.0024	0.0181	0.0269
Plasmodium falciparum	carbonic anhydrase	0.0134	0.2407	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0025	0.0199	0.0296
Brugia malayi	ecdysteroid receptor	0.0025	0.0199	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0181	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Onchocerca volvulus		0.0046	0.0629	0.9273
Loa Loa (eye worm)	carboxylesterase	0.0046	0.0629	0.0933
Schistosoma mansoni	rab6-interacting	0.002	0.0093	0.0093
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0666	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2407	0.357
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0046	0.0629	0.0629
Echinococcus granulosus	carbonic anhydrase	0.0134	0.2407	0.2407
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0075	0.5
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0056	0.0816	0.0816
Schistosoma mansoni	loxhd1	0.002	0.0093	0.0093
Echinococcus multilocularis	tumor protein p63	0.0331	0.6384	0.6384
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0349	0.6742	0.6742
Toxoplasma gondii	hypothetical protein	0.0134	0.2407	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0075	0.0075
Mycobacterium ulcerans	carboxylesterase, LipT	0.0046	0.0629	1
Brugia malayi	Carboxylesterase family protein	0.0274	0.524	0.7773
Echinococcus multilocularis	neuroligin	0.0046	0.0629	0.0629
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0025	0.0199	0.0296
Brugia malayi	hypothetical protein	0.0046	0.0629	0.0933
Brugia malayi	Carboxylesterase family protein	0.0274	0.524	0.7773
Schistosoma mansoni	slit	0.0024	0.0181	0.0181
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0199	0.0296
Brugia malayi	photoreceptor-specific nuclear receptor	0.0025	0.0199	0.0296
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0134	0.2407	0.357
Brugia malayi	MH2 domain containing protein	0.0115	0.2025	0.3003
Onchocerca volvulus		0.0048	0.0671	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0093	0.0093
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0025	0.0199	0.0199
Trichomonas vaginalis	spcc417.12 protein, putative	0.0046	0.0629	1
Echinococcus granulosus	tumor protein p63	0.0331	0.6384	0.6384
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0025	0.0199	0.0199
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.4705	0.4705
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0075	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0248	0.4705	0.6979
Brugia malayi	nuclear hormone receptor	0.0025	0.0199	0.0296
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.2407	0.357
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0093	0.0138
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0075	0.0111
Echinococcus granulosus	RUN	0.002	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.2407	0.2407
Echinococcus multilocularis	RUN	0.002	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2407	0.357
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0025	0.0199	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0671	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Echinococcus multilocularis	slit 2 protein	0.0024	0.0181	0.0181
Onchocerca volvulus		0.0025	0.0199	0.184
Brugia malayi	Carboxylesterase family protein	0.0046	0.0629	0.0933
Loa Loa (eye worm)	acetylcholinesterase 1	0.0274	0.524	0.7773
Loa Loa (eye worm)	steroid hormone receptor	0.0025	0.0199	0.0296
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0025	0.0199	0.0296
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0025	0.0199	0.0199
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0093	0.0079
Echinococcus multilocularis	acetylcholinesterase	0.0274	0.524	0.524
Echinococcus multilocularis	para nitrobenzyl esterase	0.0046	0.0629	0.0629
Onchocerca volvulus		0.0046	0.0629	0.9273
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.2407	0.357
Echinococcus multilocularis	acetylcholinesterase	0.0274	0.524	0.524
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0349	0.6742	1
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.2407	0.2407
Brugia malayi	hypothetical protein	0.002	0.0093	0.0138
Schistosoma mansoni	hypothetical protein	0.051	1	1
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0093	0.0093
Schistosoma mansoni	hypothetical protein	0.002	0.0093	0.0093
Echinococcus granulosus	carbonic anhydrase	0.0134	0.2407	0.2407
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0025	0.0199	0.0296
Schistosoma mansoni	RAR-like nuclear receptor	0.0025	0.0199	0.0199
Schistosoma mansoni	hypothetical protein	0.0134	0.2407	0.2407
Schistosoma mansoni	acetylcholinesterase	0.0046	0.0629	0.0629
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0075	0.0111
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0025	0.0199	0.0296
Brugia malayi	steroid hormone receptor	0.0025	0.0199	0.0296
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0025	0.0199	0.0296
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0025	0.0199	0.0199
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0046	0.0629	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0025	0.0199	0.0296
Schistosoma mansoni	hypothetical protein	0.051	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0025	0.0199	0.0296
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0024	0.0181	0.0269
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0075	0.5
Loa Loa (eye worm)	hypothetical protein	0.0274	0.524	0.7773
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.4327	0.6418
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0025	0.0199	0.0296
Schistosoma mansoni	polycystin 1-related	0.002	0.0093	0.0093
Brugia malayi	Carboxylesterase family protein	0.0046	0.0629	0.0933
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0248	0.4705	0.6979
Onchocerca volvulus	Protein ultraspiracle homolog	0.0025	0.0199	0.184
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0025	0.0199	0.0296
Echinococcus granulosus	carbonic anhydrase	0.0134	0.2407	0.2407
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Echinococcus granulosus	slit 2 protein	0.0024	0.0181	0.0181
Echinococcus granulosus	carboxylesterase 5A	0.0274	0.524	0.524
Schistosoma mansoni	rab6-interacting	0.002	0.0093	0.0093
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0046	0.0629	0.0629
Schistosoma mansoni	ap endonuclease	0.0019	0.0075	0.0075
Schistosoma mansoni	laminin gamma-3 chain	0.0024	0.0181	0.0181
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0358	0.0531
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0025	0.0199	0.0199
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0025	0.0199	0.0296
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0025	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0025	0.0199	0.0199
Schistosoma mansoni	lipoxygenase	0.002	0.0093	0.0093
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0056	0.0816	0.0816
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.2025	0.3003
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0671	0.0671
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0666	0.0988
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Schistosoma mansoni	gliotactin	0.0046	0.0629	0.0629
Schistosoma mansoni	ap endonuclease	0.0019	0.0075	0.0075
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Echinococcus granulosus	carbonic anhydrase II	0.0248	0.4705	0.4705
Schistosoma mansoni	hypothetical protein	0.0033	0.0358	0.0358
Loa Loa (eye worm)	carbonic anhydrase 3	0.0248	0.4705	0.6979
Echinococcus granulosus	FTZ F1 alpha	0.0025	0.0199	0.0199
Echinococcus multilocularis	neurogenic locus notch protein	0.0024	0.0181	0.0181
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.2407	0.2407
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0025	0.0199	0.0199
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0025	0.0199	0.0199
Loa Loa (eye worm)	carboxylesterase	0.0274	0.524	0.7773
Schistosoma mansoni	thyroid hormone receptor	0.0025	0.0199	0.0199
Schistosoma mansoni	nuclear hormone receptor	0.0025	0.0199	0.0199
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0046	0.0629	0.0629
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0046	0.0629	0.0629
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.2407	0.2407
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0025	0.0199	0.0296
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0666	0.0988
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0025	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0666	0.0988
Echinococcus multilocularis	geminin	0.051	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0199	0.0199
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0025	0.0199	0.0296
Echinococcus granulosus	acetylcholinesterase	0.0274	0.524	0.524
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.4327	0.6418
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0349	0.6742	0.6742
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.4705	0.4705
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.2407	0.2407
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0025	0.0199	0.0296
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0025	0.0199	0.0199
Echinococcus granulosus	acetylcholinesterase	0.0274	0.524	0.524
Echinococcus granulosus	neurogenic locus notch protein	0.0024	0.0181	0.0181
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0046	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.002	0.0093	0.0138
Brugia malayi	EGF-like domain containing protein	0.0024	0.0181	0.0269
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0075	0.0075
Onchocerca volvulus		0.0046	0.0629	0.9273
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0093	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.2407	0.357
Brugia malayi	Steroid receptor seven-up type 2	0.0025	0.0199	0.0296
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.2025	0.3003
Onchocerca volvulus		0.0046	0.0629	0.9273
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0046	0.0629	1
Leishmania major	carbonic anhydrase-like protein	0.0248	0.4705	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0199	0.0296
Brugia malayi	Nuclear hormone receptor-like 1	0.0025	0.0199	0.0296
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0199	0.0199
Echinococcus granulosus	para nitrobenzyl esterase	0.0046	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0046	0.0629	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0199	0.0199
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0025	0.0199	0.0199
Echinococcus multilocularis	ecdysone induced protein 78C	0.0025	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0181	0.0269
Schistosoma mansoni	cell polarity protein	0.0024	0.0181	0.0181
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.4705	1
Loa Loa (eye worm)	hypothetical protein	0.0274	0.524	0.7773
Schistosoma mansoni	retinoic acid receptor RXR	0.0025	0.0199	0.0199
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0093	0.0093
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0248	0.4705	0.6979
Echinococcus multilocularis	pikachurin	0.0024	0.0181	0.0181
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0025	0.0199	0.0199
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0046	0.0629	0.0629
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0075	0.5
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0024	0.0181	0.0269
Echinococcus granulosus	BC026374 protein S09 family	0.0046	0.0629	0.0629
Trypanosoma brucei	carbonic anhydrase-like protein	0.0248	0.4705	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0274	0.524	0.524
Echinococcus multilocularis	carboxylesterase 5A	0.0274	0.524	0.524
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0025	0.0199	0.0296
Echinococcus granulosus	pikachurin	0.0024	0.0181	0.0181
Echinococcus granulosus	neuroligin	0.0046	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0629	0.0933
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0093	0.0093
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0349	0.6742	0.6742
Echinococcus multilocularis	FTZ F1 alpha	0.0025	0.0199	0.0199
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0024	0.0181	0.0181
Brugia malayi	Doublecortin family protein	0.002	0.0093	0.0138
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.2407	0.2407
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0181	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2407	0.357

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 50 uM	Ex vivo inhibition of Plasmodium falciparum growth in cultured cells after 48hrs as [3H]hypoxanthine uptake	ChEMBL.	18805693
Ki (binding)	= 12 nM	Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method	ChEMBL.	20598552
Ki (binding)	= 78 nM	Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method	ChEMBL.	20598552
Ki (binding)	= 91 nM	Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method	ChEMBL.	20598552
Ki (binding)	= 91 nM	Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method	ChEMBL.	20598552

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: CHEMBL478669

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 977431