TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 554.527 | Formula: C22H26N4O11S
H donors: 1 H acceptors: 8 LogP: -0.57 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CC(=O)OC[C@H]1O[C@@H](n2nnc(c2)c2cccc(c2)S(=O)(=O)N)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C
InChi: 1S/C22H26N4O11S/c1-11(27)33-10-18-19(34-12(2)28)20(35-13(3)29)21(36-14(4)30)22(37-18)26-9-17(24-25-26)15-6-5-7-16(8-15)38(23,31)32/h5-9,18-22H,10H2,1-4H3,(H2,23,31,32)/t18-,19-,20+,21-,22-/m1/s1
InChiKey: UYNIYVDORHVSTA-QMCAAQAGSA-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 I	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase XII	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase IX	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase XIV	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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
Brugia malayi	Eukaryotic-type carbonic anhydrase family 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
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
Trypanosoma brucei	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
Trypanosoma congolense	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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase 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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	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
Loa Loa (eye worm)	carbonic anhydrase 3	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
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	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
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	acetyltransferase, GNAT family protein	0.0146	0.0325	0.0324
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0034	0.0027
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0034	0.0034
Brugia malayi	nuclear hormone receptor	0.002	0.0018	0.0017
Loa Loa (eye worm)	tyrosinase 1	0.0091	0.019	0.019
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0091	0.019	0.0189
Echinococcus multilocularis	cysteine protease	0.0017	0.0009	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0018	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0018	0.0017
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0003	0.0003
Onchocerca volvulus		0.0027	0.0034	0.008
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0582	0.1391	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0091	0.019	0.0189
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0089	0.0088
Schistosoma mansoni	alpha-glucosidase	0.0138	0.0306	0.03
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0079	0.0079
Brugia malayi	hypothetical protein	0.0016	0.0008	0.0007
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0108	0.0233	0.0226
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0152	0.0341	0.0606
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0122	0.0121
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0018	0.0018
Plasmodium falciparum	carbonic anhydrase	0.2254	0.5476	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0018	0.0017
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0056	0.0393
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Mycobacterium ulcerans	thymidylate synthase	0.0108	0.0233	0.2665
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0018	0.0017
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0582	0.1391	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0009	0.0009
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0018	0.0018
Treponema pallidum	fructose-bisphosphate aldolase	0.0582	0.1391	0.5
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0018	0.0018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.0361	0.0361
Brugia malayi	Sodium Bile acid symporter family protein	0.1669	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0034	0.0051	0.0044
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0056	0.0055
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0018	0.0011
Onchocerca volvulus		0.0027	0.0034	0.008
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0029	0.0037
Onchocerca volvulus		0.1669	0.4045	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0018	0.0018
Echinococcus multilocularis	carbonic anhydrase	0.2254	0.5476	0.5476
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0152	0.0341	0.034
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0018	0.0017
Loa Loa (eye worm)	dihydrofolate reductase	0.0044	0.0076	0.0076
Echinococcus granulosus	histone lysine methyltransferase setb	0.0059	0.0114	0.0114
Echinococcus multilocularis	thymidylate synthase	0.0108	0.0233	0.0233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus multilocularis	muscleblind protein	0.0147	0.0328	0.0328
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.0315	0.0315
Schistosoma mansoni	tyrosinase precursor	0.0091	0.019	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0328	0.0328
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0018	0.0011
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0009	0.0009
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0264	0.0264
Echinococcus granulosus	neuropeptide s receptor	0.0456	0.1082	0.1082
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0056	0.0393
Leishmania major	cathepsin L-like protease	0.0063	0.0122	0.0121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus multilocularis	musashi	0.0027	0.0034	0.0034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0007	0.0006
Loa Loa (eye worm)	hypothetical protein	0.2254	0.5476	0.5476
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0018	0.0018
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0262	0.0262
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0108	0.0233	0.2665
Loa Loa (eye worm)	hypothetical protein	0.2254	0.5476	0.5476
Echinococcus granulosus	neuropeptide receptor A26	0.0456	0.1082	0.1082
Onchocerca volvulus		0.0017	0.0009	0.002
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0007	0.0007
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0079	0.0078
Echinococcus granulosus	cathepsin l1	0.0017	0.0009	0.0009
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0059	0.0114	0.0107
Echinococcus granulosus	GPCR family 2	0.0016	0.0007	0.0007
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0799	0.1922	0.1922
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Brugia malayi	thymidylate synthase	0.0108	0.0233	0.0232
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0018	0.0011
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0008
Onchocerca volvulus		0.0093	0.0196	0.0481
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0009	0.0008
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0018	0.0018
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0073	0.0073
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0007	0.0006
Onchocerca volvulus		0.0017	0.0009	0.002
Leishmania major	cathepsin L-like protease	0.0017	0.0009	0.0008
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0089	0.0089
Brugia malayi	hypothetical protein	0.0025	0.0029	0.0028
Echinococcus multilocularis	lamin dm0	0.0027	0.0034	0.0034
Echinococcus multilocularis	sodium bile acid cotransporter	0.1669	0.4045	0.4045
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0284	0.0664	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0114	0.0107
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	steroid hormone receptor	0.002	0.0018	0.0017
Loa Loa (eye worm)	ShTK domain-containing protein	0.0091	0.019	0.019
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0008
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0018	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0032	0.0032
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0018	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0091	0.019	0.019
Mycobacterium tuberculosis	Hypothetical protein	0.0051	0.0094	0.0306
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0056	0.0056
Loa Loa (eye worm)	cysteine protease	0.0017	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0089	0.0089
Loa Loa (eye worm)	RNA binding protein	0.0128	0.0281	0.0281
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0089	0.0088
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.0281	0.0281
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0018	0.0017
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Loa Loa (eye worm)	carbonic anhydrase 3	0.4106	1	1
Brugia malayi	MH2 domain containing protein	0.012	0.0262	0.0261
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0009	0.0009
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0122	0.0121
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0018	0.0018
Echinococcus granulosus	thymidylate synthase	0.0108	0.0233	0.0233
Leishmania major	cathepsin L-like protease	0.0063	0.0122	0.0121
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0091	0.019	0.0189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Schistosoma mansoni	lamin	0.0027	0.0034	0.0027
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0018	0.0018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0003	0.0002
Echinococcus multilocularis	geminin	0.0342	0.0804	0.0804
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0018	0.0011
Leishmania major	carbonic anhydrase-like protein	0.4106	1	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.0361	0.0361
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0007	0.0007
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0018	0.0017
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0094	0.0671
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0018	0.0017
Loa Loa (eye worm)	hypothetical protein	0.1669	0.4045	0.4045
Echinococcus granulosus	intermediate filament protein	0.0027	0.0034	0.0034
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0056	0.0393
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0009	0.0009
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0018	0.0018
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0018	0.0018
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Schistosoma mansoni	alpha-glucosidase	0.0138	0.0306	0.03
Brugia malayi	intermediate filament protein	0.0027	0.0034	0.0033
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.0361	0.036
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0008
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0018	0.0017
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0029	0.0028
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0008
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0056	0.0393
Schistosoma mansoni	hypothetical protein	0.0342	0.0804	0.0798
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0009	0.0002
Echinococcus granulosus	sodium bile acid cotransporter	0.1669	0.4045	0.4045
Echinococcus granulosus	sodium bile acid cotransporter	0.1669	0.4045	0.4045
Brugia malayi	Common central domain of tyrosinase family protein	0.0091	0.019	0.0189
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0109	0.0108
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0079	0.0079
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0114	0.0107
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0018	0.0018
Leishmania major	cathepsin L-like protease	0.0063	0.0122	0.0121
Brugia malayi	TAR-binding protein	0.0128	0.0281	0.028
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0057	0.0109	0.0109
Onchocerca volvulus		0.0017	0.0009	0.002
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0091	0.019	0.019
Echinococcus granulosus	geminin	0.0342	0.0804	0.0804
Schistosoma mansoni	alpha glucosidase	0.0036	0.0056	0.0049
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.4106	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0009	0.002
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0029	0.0037
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0009	0.0008
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.0281	0.0281
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0056	0.0393
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Onchocerca volvulus		0.0017	0.0009	0.002
Echinococcus multilocularis	carbonic anhydrase II	0.4106	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	RNA binding protein	0.0128	0.0281	0.028
Schistosoma mansoni	sodium-bile acid cotransporter	0.0992	0.2392	0.2387
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0029	0.0615
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0029	0.0037
Echinococcus multilocularis	sodium bile acid cotransporter	0.1669	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0029	0.0029
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0018	0.0041
Onchocerca volvulus		0.002	0.0018	0.0041
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0059	0.0114	0.0114
Onchocerca volvulus		0.0091	0.019	0.0468
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0065	0.0458
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0059	0.0114	0.0107
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0009	0.002
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0079	0.0079
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Schistosoma mansoni	carbonic anhydrase-related	0.2254	0.5476	0.5473
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0264	0.0264
Echinococcus granulosus	dihydrofolate reductase	0.0044	0.0076	0.0076
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0065	0.0102
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0009	0.0009
Onchocerca volvulus		0.0059	0.0114	0.0279
Loa Loa (eye worm)	fibroinase	0.0017	0.0009	0.0009
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0089	0.0088
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0018	0.0041
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0281	0.0274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Onchocerca volvulus		0.0091	0.019	0.0468
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.0281	0.0281
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0262	0.0262
Echinococcus granulosus	muscleblind protein	0.0147	0.0328	0.0328
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0281	0.0274
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0056	0.0393
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0009	0.0009
Loa Loa (eye worm)	acetyltransferase	0.0146	0.0325	0.0325
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0018	0.0011
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0018	0.0018
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0051	0.0094	0.0093
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0008
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0073	0.0118
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0073	0.1944
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Schistosoma mansoni	lamin	0.0027	0.0034	0.0027
Onchocerca volvulus		0.0091	0.019	0.0468
Schistosoma mansoni	tyrosinase precursor	0.0091	0.019	0.0184
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0029	0.0028
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0018	0.0018
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.2254	0.5476	0.5476
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0018	0.0011
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0073	0.0118
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus multilocularis	neuropeptide receptor A26	0.0456	0.1082	0.1082
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0009	0.0057
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.0281	0.028
Echinococcus multilocularis	carbonic anhydrase	0.2254	0.5476	0.5476
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0073	0.0521
Brugia malayi	Dihydrofolate reductase	0.0044	0.0076	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0001	0.0001
Brugia malayi	nuclear receptor NHR-88	0.002	0.0018	0.0017
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0018	0.0017
Loa Loa (eye worm)	hypothetical protein	0.2254	0.5476	0.5476
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0018	0.0017
Schistosoma mansoni	coup transcription factor	0.002	0.0018	0.0011
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0009	0.0009
Onchocerca volvulus		0.0298	0.0697	0.172
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0146	0.0325	0.0325
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus multilocularis	carbonic anhydrase	0.2254	0.5476	0.5476
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0059	0.0114	0.0114
Leishmania major	cathepsin L-like protease	0.0017	0.0009	0.0008
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0056	0.0393
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0018	0.0011
Onchocerca volvulus		0.0017	0.0009	0.002
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0056	0.0055
Schistosoma mansoni	hypothetical protein	0.0342	0.0804	0.0798
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Plasmodium vivax	SET domain protein, putative	0.0059	0.0114	0.3166
Onchocerca volvulus		0.0472	0.1122	0.2771
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0079	0.0072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0056	0.0393
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0018	0.0011
Echinococcus granulosus	sodium bile acid cotransporter	0.1669	0.4045	0.4045
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0056	0.0086
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0056	0.0055
Onchocerca volvulus		0.0017	0.0009	0.002
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0051	0.005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0007	0.0007
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0018	0.0018
Chlamydia trachomatis	dihydrofolate reductase	0.0044	0.0076	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0009	0.002
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0018	0.0018
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0152	0.0341	1
Schistosoma mansoni	hypothetical protein	0.2254	0.5476	0.5473
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0018	0.0018
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2254	0.5476	0.5476
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0108	0.0233	0.2665
Brugia malayi	Pre-SET motif family protein	0.0059	0.0114	0.0113
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0009	0.0009
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0009	0.0002
Brugia malayi	Pre-SET motif family protein	0.0415	0.0982	0.0981
Schistosoma mansoni	sodium-bile acid cotransporter related	0.1669	0.4045	0.4041
Onchocerca volvulus	Huntingtin homolog	0.0121	0.0264	0.0649
Loa Loa (eye worm)	thymidylate synthase	0.0108	0.0233	0.0233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0018	0.0017
Trypanosoma brucei	carbonic anhydrase-like protein	0.4106	1	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0056	0.0393
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.2254	0.5476	0.5476
Brugia malayi	ecdysteroid receptor	0.002	0.0018	0.0017
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0091	0.019	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0328	0.0328
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0284	0.0664	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.4106	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0051	0.0051
Giardia lamblia	Fructose-bisphosphate aldolase	0.0582	0.1391	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0018	0.0011
Trichomonas vaginalis	set domain proteins, putative	0.0472	0.1122	0.806
Leishmania major	cathepsin L-like protease	0.0017	0.0009	0.0008
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0009	0.0008
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0018	0.0018
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0056	0.0055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.0361	0.0361
Brugia malayi	hypothetical protein	0.0051	0.0094	0.0093
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0122	0.0121
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0018	0.0017
Schistosoma mansoni	carbonic anhydrase-related	0.2254	0.5476	0.5473
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0146	0.0325	0.0319
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.4106	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.2254	0.5476	0.5473
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0056	0.0056
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0018	0.0018
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2254	0.5476	0.5476
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0009
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0059	0.0114	0.0192
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0281	0.0274
Brugia malayi	dihydrofolate reductase family protein	0.0044	0.0076	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0298	0.0697	0.0697
Leishmania major	cathepsin L-like protease	0.0017	0.0009	0.0008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0079	0.0072
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Brugia malayi	hypothetical protein	0.0121	0.0264	0.0263
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0122	0.0121
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Echinococcus multilocularis	dihydrofolate reductase	0.0044	0.0076	0.0076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0018	0.0018
Echinococcus multilocularis	neuropeptide s receptor	0.0456	0.1082	0.1082
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.4106	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0079	0.0079
Brugia malayi	ShTK domain containing protein	0.0091	0.019	0.0189
Schistosoma mansoni	dihydrofolate reductase	0.0044	0.0076	0.007
Trypanosoma brucei	glucosidase, putative	0.0036	0.0056	0.0055
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0029	0.0028
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0018	0.0041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0079	0.0072
Schistosoma mansoni	sodium-bile acid cotransporter related	0.0677	0.1622	0.1616
Echinococcus granulosus	carbonic anhydrase	0.2254	0.5476	0.5476
Echinococcus multilocularis	lamin	0.0027	0.0034	0.0034
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0152	0.0341	0.0606
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Loa Loa (eye worm)	ctsf protein	0.0017	0.0009	0.0009
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.2254	0.5476	0.5476
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0018	0.0018
Leishmania major	hypothetical protein, conserved	0.0025	0.0029	0.0028
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Onchocerca volvulus	Huntingtin homolog	0.0121	0.0264	0.0649
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Brugia malayi	Muscleblind-like protein	0.0147	0.0328	0.0327
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0152	0.0341	0.034
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0009	0.0057
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.4106	1	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0284	0.0664	1
Brugia malayi	hypothetical protein	0.0298	0.0697	0.0696
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0009	0.0057
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0018	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0114	0.0114
Onchocerca volvulus		0.0091	0.019	0.0468
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0018	0.0018
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0281	0.0274
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0079	0.0079
Onchocerca volvulus		0.0108	0.0233	0.0573
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0018	0.0018
Schistosoma mansoni	carbonic anhydrase	0.2254	0.5476	0.5473
Echinococcus multilocularis	cysteine protease	0.0017	0.0009	0.0009
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.0281	0.0274
Echinococcus multilocularis	muscleblind protein 1	0.0147	0.0328	0.0328
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0034	0.0034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Echinococcus granulosus	tar DNA binding protein	0.0128	0.0281	0.0281
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0007	0.0007
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0415	0.0982	0.0982
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.4106	1	1
Echinococcus granulosus	lamin	0.0027	0.0034	0.0034
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0018	0.0011
Loa Loa (eye worm)	ShTK domain-containing protein	0.0091	0.019	0.019
Onchocerca volvulus		0.0017	0.0009	0.002
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0018	0.0017
Loa Loa (eye worm)	hypothetical protein	0.002	0.0018	0.0018
Echinococcus granulosus	lamin dm0	0.0027	0.0034	0.0034
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0009	0.0008
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0007	0.0007
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0009	0.0057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0018	0.0018
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0018	0.0017
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0018	0.0018
Echinococcus multilocularis	sodium bile acid cotransporter	0.1669	0.4045	0.4045
Leishmania major	cathepsin L-like protease	0.0017	0.0009	0.0008
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0056	0.0393
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0034	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0018	0.0017
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0073	0.0521
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0009	0.0057
Echinococcus granulosus	carbonic anhydrase	0.2254	0.5476	0.5476
Echinococcus granulosus	carbonic anhydrase II	0.4106	1	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0152	0.0341	0.034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0122	0.0121
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0056	0.0393
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.2254	0.5476	0.5476
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.0361	0.0361
Toxoplasma gondii	hypothetical protein	0.2254	0.5476	1
Echinococcus granulosus	carbonic anhydrase	0.2254	0.5476	0.5476
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0582	0.1391	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0018	0.0018

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 45.3 nM	Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay	ChEMBL.	24200125
Ki (binding)	= 55.1 nM	Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay	ChEMBL.	24200125
Ki (binding)	= 261 nM	Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay	ChEMBL.	24200125
Ki (binding)	= 480 nM	Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay	ChEMBL.	24200125
Ki (binding)	= 2245 nM	Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay	ChEMBL.	24200125

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: CHEMBL3092937

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1825133