TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.785 | Formula: C13H13ClN4O3S
H donors: 4 H acceptors: 3 LogP: 1.41 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)NS(=O)(=O)N
InChi: 1S/C13H13ClN4O3S/c14-9-1-3-10(4-2-9)16-13(19)17-11-5-7-12(8-6-11)18-22(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
InChiKey: WGCRUKXEVVQONI-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 XII	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References
Candida glabrata CBS 138	Carbonic anhydrase	Starlite/ChEMBL	References
Candida albicans	Involved in protection against oxidative damage	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Get druggable targets OG5_127503	All targets in OG5_127503
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
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase	Get druggable targets OG5_127503	All targets in OG5_127503
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania mexicana	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Entamoeba histolytica	carbonic anhydrase, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	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 family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Brugia malayi	Putative carbonic anhydrase 5 precursor	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania braziliensis	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Echinococcus multilocularis	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Candida albicans	Involved in protection against oxidative damage	Get druggable targets OG5_127503	All targets in OG5_127503
Leishmania mexicana	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma brucei gambiense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania major	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Leishmania braziliensis	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
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania donovani	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	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
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127503	All targets in OG5_127503
Candida albicans	Involved in protection against oxidative damage	Get druggable targets OG5_127503	All targets in OG5_127503
Mycobacterium ulcerans	carbonic anhydrase	Get druggable targets OG5_127503	All targets in OG5_127503
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	Get druggable targets OG5_127503	All targets in OG5_127503
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

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 %
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	Carbonic anhydrase	219 aa	199 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.099	0.4604
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0152	0.117	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.005	0.0133	0.0163
Leishmania major	lysophospholipase, putative	0.0063	0.0258	0.0493
Plasmodium falciparum	carbonic anhydrase	0.0134	0.099	0.7943
Toxoplasma gondii	aspartyl protease	0.0066	0.0296	0.253
Treponema pallidum	sodium- and chloride- dependent transporter	0.0194	0.1605	0.5
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0066	0.0296	0.1376
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Loa Loa (eye worm)	CYP4Cod1	0.0099	0.0635	0.2951
Loa Loa (eye worm)	norepinephrine transporter	0.0194	0.1605	0.7459
Schistosoma mansoni	protein kinase	0.0089	0.0528	0.0528
Loa Loa (eye worm)	cytochrome P450 family protein	0.0099	0.0635	0.2951
Loa Loa (eye worm)	aspartyl protease 6	0.0066	0.0296	0.1376
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.2151	0.2151
Trichomonas vaginalis	STE family protein kinase	0.0089	0.0528	0.2573
Trypanosoma cruzi	lysophospholipase, putative	0.0063	0.0258	0.1201
Echinococcus multilocularis		0.0042	0.0052	0.0064
Trichomonas vaginalis	STE family protein kinase	0.0089	0.0528	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0158	0.0736
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.0245	0.1193
Echinococcus granulosus	acyl protein thioesterase 12	0.0063	0.0258	0.1201
Schistosoma mansoni	hypothetical protein	0.0111	0.0752	0.0752
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0168	0.1335	0.6205
Leishmania major	cytochrome p450-like protein	0.0042	0.0052	0.0099
Trypanosoma brucei	protein kinase, putative	0.0061	0.0245	0.1138
Echinococcus multilocularis	mitogen activated protein kinase	0.0061	0.0245	0.03
Schistosoma mansoni	hypothetical protein	0.0074	0.0373	0.0373
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.2151	1
Onchocerca volvulus		0.0097	0.0612	0.3737
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.099	0.4604
Loa Loa (eye worm)	hypothetical protein	0.0152	0.117	0.544
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.099	0.4604
Echinococcus multilocularis	slit 2 protein	0.0053	0.0158	0.0194
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0061	0.0245	0.03
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0117	0.0817	0.1558
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.2151	1
Brugia malayi	Cytochrome P450 family protein	0.0042	0.0052	0.0242
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0119	0.0835	0.0835
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.1937	0.6832
Echinococcus granulosus	expressed conserved protein	0.011	0.0744	0.346
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0248	0.2151	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.0722	0.3356
Loa Loa (eye worm)	cytochrome P450 family protein	0.0088	0.0516	0.24
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0194	0.1605	0.7459
Brugia malayi	Cytochrome P450 family protein	0.0099	0.0635	0.2951
Schistosoma mansoni	chondroitin sulfate proteoglycan-related	0.0053	0.0158	0.0158
Brugia malayi	hypothetical protein	0.0066	0.0296	0.1376
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.0245	0.1193
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0061	0.0245	0.1138
Schistosoma mansoni	laminin gamma-3 chain	0.0053	0.0158	0.0158
Plasmodium falciparum	plasmepsin VI	0.0152	0.117	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0134	0.099	0.4604
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.0245	0.1193
Loa Loa (eye worm)	cytochrome P450	0.0042	0.0052	0.0242
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Brugia malayi	Cytochrome P450 family protein	0.0099	0.0635	0.2951
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0061	0.0245	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0158	0.0736
Brugia malayi	CHE-14 protein	0.005	0.0133	0.0619
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0099	0.0635	0.1123
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0061	0.0245	0.1138
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.099	0.099
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.099	0.4604
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0373	0.1734
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Schistosoma mansoni	acyl-protein thioesterase 12 (lysophospholipase III)	0.0063	0.0258	0.0258
Schistosoma mansoni	serine/threonine protein kinase	0.0061	0.0245	0.0245
Schistosoma mansoni	sodium/chloride dependent transporter	0.0194	0.1605	0.1605
Echinococcus granulosus	Niemann Pick C1 protein	0.0117	0.0817	0.3797
Trypanosoma cruzi	cytochrome P450, putative	0.0099	0.0635	0.2951
Echinococcus multilocularis	neurogenic locus notch protein	0.0053	0.0158	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0158	0.0736
Echinococcus granulosus	mitogen activated protein kinase 3	0.0061	0.0245	0.1138
Echinococcus granulosus	serotonin transporter	0.0194	0.1605	0.7459
Onchocerca volvulus		0.0066	0.0296	0.1746
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0248	0.2151	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0152	0.117	0.117
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	0.0089	0.0528	0.2454
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0061	0.0245	0.1138
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.099	0.099
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0066	0.0296	0.253
Plasmodium falciparum	plasmepsin IV	0.0152	0.117	1
Brugia malayi	laminin alpha chain	0.0053	0.0158	0.0736
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0152	0.117	0.544
Schistosoma mansoni	carbonic anhydrase	0.0134	0.099	0.099
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0152	0.117	0.1434
Schistosoma mansoni	slit	0.0053	0.0158	0.0158
Brugia malayi	cytochrome P450	0.0042	0.0052	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0134	0.099	0.4604
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.005	0.0133	0.0619
Schistosoma mansoni	hypothetical protein	0.0048	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1605	0.7459
Brugia malayi	aspartic protease BmAsp-1, identical	0.0066	0.0296	0.1376
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0042	0.0052	0.0242
Loa Loa (eye worm)	cytochrome P450 family protein	0.0099	0.0635	0.2951
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0075	0.0347
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0075	0.0091
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0152	0.117	0.5705
Echinococcus granulosus	mitogen activated protein kinase	0.0061	0.0245	0.1138
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.0722	0.3356
Echinococcus granulosus	slit 2 protein	0.0053	0.0158	0.0736
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0075	0.0347
Leishmania major	carbonic anhydrase-like protein	0.0248	0.2151	0.4103
Schistosoma mansoni	cathepsin D (A01 family)	0.037	0.3401	0.3401
Echinococcus granulosus	sterol regulatory element binding protein	0.005	0.0133	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0722	0.3356
Trypanosoma cruzi	cytochrome P450, putative	0.0099	0.0635	0.2951
Toxoplasma gondii	hypothetical protein	0.0134	0.099	0.8463
Brugia malayi	hypothetical protein	0.0066	0.0296	0.1376
Brugia malayi	Niemann-Pick C1 protein precursor	0.0117	0.0817	0.3797
Toxoplasma gondii	phospholipase/carboxylesterase	0.0063	0.0258	0.2208
Toxoplasma gondii	aspartyl protease ASP3	0.0066	0.0296	0.253
Echinococcus multilocularis	protein dispatched 1	0.0057	0.0206	0.0252
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.099	0.1214
Echinococcus granulosus	Niemann Pick C1 protein	0.0168	0.1331	0.6186
Loa Loa (eye worm)	hypothetical protein	0.0134	0.099	0.4604
Schistosoma mansoni	hypothetical protein	0.0048	0.0115	0.0115
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0194	0.1605	0.7459
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Trypanosoma brucei	carbonic anhydrase-like protein	0.0248	0.2151	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0168	0.1335	0.6205
Trichomonas vaginalis	conserved hypothetical protein	0.0238	0.2051	1
Echinococcus multilocularis	protein patched	0.005	0.0133	0.0163
Plasmodium falciparum	plasmepsin II	0.0152	0.117	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0836	0.8158	1
Echinococcus multilocularis	acyl protein thioesterase 1	0.0063	0.0258	0.0317
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0238	0.2051	0.7246
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.099	0.1214
Toxoplasma gondii	aspartyl protease ASP1	0.0152	0.117	1
Brugia malayi	Pepsin A precursor	0.0066	0.0296	0.1376
Schistosoma mansoni	hypothetical protein	0.0048	0.0115	0.0115
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.2151	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0249	0.1157
Echinococcus multilocularis	Niemann Pick C1 protein	0.0168	0.1331	0.1631
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0075	0.0347
Brugia malayi	MH2 domain containing protein	0.0142	0.1071	0.4981
Echinococcus granulosus	Protein patched homolog 1	0.005	0.0133	0.0619
Schistosoma mansoni	alpha-glucosidase	0.0145	0.1096	0.1096
Loa Loa (eye worm)	MH2 domain-containing protein	0.0142	0.1071	0.4981
Plasmodium vivax	plasmepsin IV, putative	0.0152	0.117	1
Giardia lamblia	Kinase, STE STE20	0.0089	0.0528	1
Schistosoma mansoni	hypothetical protein	0.0134	0.099	0.099
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0042	0.0052	0.0242
Loa Loa (eye worm)	phospholipase/Carboxylesterase	0.0063	0.0258	0.1201
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0066	0.0296	0.0296
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0061	0.0245	0.0467
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0373	0.1734
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0066	0.0296	0.1376
Schistosoma mansoni	carbonic anhydrase	0.0551	0.5243	0.5243
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0042	0.0052	0.0099
Echinococcus multilocularis	serotonin transporter	0.0194	0.1605	0.1967
Trypanosoma brucei	cytochrome P450, putative	0.0099	0.0635	0.2951
Echinococcus multilocularis	dual specificity mitogen activated protein	0.0089	0.0528	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0296	0.1376
Echinococcus granulosus	pikachurin	0.0053	0.0158	0.0736
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0075	0.0075
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0042	0.0052	0.0445
Schistosoma mansoni	cytochrome P450	0.0042	0.0052	0.0052
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.099	0.1214
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0075	0.0347
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.099	0.099
Wolbachia endosymbiont of Brugia malayi	esterase	0.0063	0.0258	0.5
Trichomonas vaginalis	STE family protein kinase	0.0089	0.0528	0.2573
Echinococcus multilocularis	expressed conserved protein	0.011	0.0744	0.0912
Trichomonas vaginalis	CMGC family protein kinase	0.0061	0.0245	0.1193
Loa Loa (eye worm)	abnormal epIthelia family member	0.0053	0.0158	0.0736
Loa Loa (eye worm)	hypothetical protein	0.0134	0.099	0.4604
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.1335	0.1636
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	0.0089	0.0528	0.2454
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0061	0.0245	0.1138
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0194	0.1605	0.1605
Echinococcus granulosus	carbonic anhydrase	0.0134	0.099	0.4604
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0075	0.0075
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	0.0089	0.0528	0.2454
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0075	0.0091
Trichomonas vaginalis	conserved hypothetical protein	0.0238	0.2051	1
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1605	0.7459
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0817	0.3797
Mycobacterium ulcerans	carbonic anhydrase	0.0551	0.5243	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0168	0.1335	0.6205
Plasmodium falciparum	plasmepsin I	0.0152	0.117	1
Trypanosoma brucei	lysophospholipase, putative	0.0063	0.0258	0.1201
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.099	0.4604
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0061	0.0245	0.2091
Loa Loa (eye worm)	hypothetical protein	0.0194	0.1605	0.7459
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0061	0.0245	0.1138
Loa Loa (eye worm)	transcription factor SMAD2	0.0142	0.1071	0.4981
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.0722	0.3356
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0075	0.0075
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0551	0.5243	1
Onchocerca volvulus		0.0194	0.1605	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.1335	0.1636
Echinococcus granulosus	carbonic anhydrase	0.0134	0.099	0.4604
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0248	0.2151	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0115	0.0115
Echinococcus multilocularis	acyl protein thioesterase 12	0.0063	0.0258	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0296	0.1376
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	0.0089	0.0528	0.1007
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0019	0.0089
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0312	0.2811	1
Leishmania major	cytochrome p450-like protein	0.0099	0.0635	0.1211
Schistosoma mansoni	hypothetical protein	0.0042	0.0052	0.0052
Schistosoma mansoni	cell polarity protein	0.0053	0.0158	0.0158
Echinococcus granulosus	dual specificity mitogen activated protein	0.0089	0.0528	0.2454
Chlamydia trachomatis	lysophospholipase esterase	0.0063	0.0258	0.5
Entamoeba histolytica	carbonic anhydrase, putative	0.0551	0.5243	1
Schistosoma mansoni	cathepsin D (A01 family)	0.037	0.3401	0.3401
Brugia malayi	EGF-like domain containing protein	0.0053	0.0158	0.0736
Schistosoma mansoni	alpha-glucosidase	0.0145	0.1096	0.1096
Leishmania major	carbonic anhydrase family protein, putative	0.0551	0.5243	1
Schistosoma mansoni	acyl-protein thioesterase 12 (lysophospholipase III)	0.0063	0.0258	0.0258
Brugia malayi	Cytochrome P450 family protein	0.0088	0.0516	0.24
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	0.0089	0.0528	0.2454
Brugia malayi	MAP kinase sur-1	0.0061	0.0245	0.1138
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0061	0.0245	0.1138
Loa Loa (eye worm)	hypothetical protein	0.005	0.0133	0.0619
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0133	0.0649
Echinococcus multilocularis	pikachurin	0.0053	0.0158	0.0194
Trypanosoma brucei	RNA helicase, putative	0.0111	0.0752	0.3497
Echinococcus granulosus	cytochrome P450 2K1	0.0042	0.0052	0.0242
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0042	0.0052	0.0242
Brugia malayi	Thrombospondin N-terminal -like domain containing protein	0.0053	0.0158	0.0736
Brugia malayi	laminin-like protein K08C7.3 precursor	0.0053	0.0158	0.0736
Echinococcus granulosus	acyl protein thioesterase 1	0.0063	0.0258	0.1201
Trypanosoma cruzi	lysophospholipase, putative	0.0063	0.0258	0.1201
Schistosoma mansoni	patched 1	0.005	0.0133	0.0133
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0152	0.117	0.544
Mycobacterium ulcerans	carbonic anhydrase	0.0238	0.2051	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0202	0.094
Brugia malayi	Phospholipase/Carboxylesterase family protein	0.0063	0.0258	0.1201
Loa Loa (eye worm)	carbonic anhydrase 3	0.0248	0.2151	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0042	0.0052	0.0242
Echinococcus granulosus	neurogenic locus notch protein	0.0053	0.0158	0.0736
Brugia malayi	aspartic protease BmAsp-2, identical	0.0066	0.0296	0.1376
Loa Loa (eye worm)	serotonin transporter b	0.0194	0.1605	0.7459
Leishmania major	cytochrome p450-like protein	0.0042	0.0052	0.0099
Echinococcus multilocularis	carbonic anhydrase II	0.0248	0.2151	0.2637
Onchocerca volvulus		0.0066	0.0296	0.1746
Echinococcus granulosus	carbonic anhydrase	0.0134	0.099	0.4604
Plasmodium vivax	aspartyl proteinase, putative	0.0152	0.117	1
Echinococcus granulosus	carbonic anhydrase II	0.0248	0.2151	1
Schistosoma mansoni	acyl-protein thioesterase 12 (lysophospholipase III)	0.0063	0.0258	0.0258
Echinococcus multilocularis	Niemann Pick C1 protein	0.0117	0.0817	0.1001

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.058 nM	Inhibition of human carbonic anhydrase-1	ChEMBL.	23206986
Ki (binding)	= 2.135 nM	Inhibition of human carbonic anhydrase-2	ChEMBL.	23206986
Ki (binding)	= 3 nM	Inhibition of human carbonic anhydrase-9	ChEMBL.	23206986
Ki (binding)	= 3.236 nM	Inhibition of human carbonic anhydrase-12	ChEMBL.	23206986
Ki (binding)	= 5.5 nM	Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	23511020
Ki (binding)	= 102 nM	Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	23511020

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: CHEMBL2331764

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1730940