TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 460.304 | Formula: C18H14BrN5O3S
H donors: 3 H acceptors: 3 LogP: 1.73 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)c1cn(c2c1c(N)nc(=O)[nH]2)c1ccc(cc1)S(=O)(=O)N
InChi: 1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
InChiKey: HHUNJXUYIOPKCN-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 XII	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase IX	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	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
Leishmania mexicana	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
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
Echinococcus granulosus	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)	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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	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 congolense	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
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania infantum	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
Trypanosoma brucei gambiense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], 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 %
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	carbonic anhydrase XII	354 aa	295 aa	23.1 %
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	Cathepsin L-like precursor	0.0144	0.2193	0.3685
Onchocerca volvulus		0.021	0.3688	1
Echinococcus granulosus	carbonic anhydrase II	0.0248	0.4525	0.4525
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1984	0.1984
Loa Loa (eye worm)	carbonic anhydrase 3	0.0248	0.4525	0.4525
Brugia malayi	cathepsin F-like cysteine proteinase	0.0067	0.0477	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0477	0.0477
Echinococcus granulosus	carbonic anhydrase	0.0134	0.1984	0.1984
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0144	0.2193	0.3685
Echinococcus multilocularis	carbonic anhydrase II	0.0248	0.4525	0.4525
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.021	0.3688	1
Echinococcus multilocularis	cathepsin b	0.0312	0.5952	0.5952
Brugia malayi	Cathepsin L-like precursor	0.021	0.3688	0.6197
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.1984	0.1984
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.3688	0.6197
Echinococcus multilocularis	cathepsin L cysteine protease	0.021	0.3688	0.3688
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.3688	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.021	0.3688	1
Plasmodium vivax	unspecified product	0.0112	0.1495	0.4054
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Onchocerca volvulus		0.021	0.3688	1
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Loa Loa (eye worm)	hypothetical protein	0.021	0.3688	0.3688
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Brugia malayi	Cathepsin L-like precursor	0.021	0.3688	0.6197
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.1984	0.3333
Loa Loa (eye worm)	hypothetical protein	0.0312	0.5952	0.5952
Echinococcus granulosus	carbonic anhydrase	0.0134	0.1984	0.1984
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0312	0.5952	0.6048
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0128	0.1841	0.3093
Plasmodium vivax	vivapain-3	0.0112	0.1495	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0112	0.1495	0.2512
Onchocerca volvulus	Cathepsin F homolog	0.021	0.3688	1
Schistosoma mansoni	cathepsin s	0.0067	0.0477	0.0484
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.4525	0.7603
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0134	0.1984	0.3333
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0112	0.1495	0.4054
Toxoplasma gondii	cathepsin CPL	0.021	0.3688	1
Giardia lamblia	Cathepsin B precursor	0.0128	0.1841	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0144	0.2193	0.3685
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0312	0.5952	0.6048
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.1984	0.3333
Plasmodium vivax	vivapain-2	0.021	0.3688	1
Brugia malayi	cathepsin L-like precursor	0.0144	0.2193	0.3685
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0067	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.021	0.3688	0.3688
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.021	0.3688	1
Entamoeba histolytica	cysteine proteinase, putative	0.0112	0.1495	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Entamoeba histolytica	cysteine proteinase, putative	0.0112	0.1495	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Loa Loa (eye worm)	cysteine protease	0.021	0.3688	0.3688
Onchocerca volvulus		0.021	0.3688	1
Toxoplasma gondii	cathepsin B	0.0128	0.1841	0.4991
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0112	0.1495	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 3	0.021	0.3688	1
Loa Loa (eye worm)	fibroinase	0.021	0.3688	0.3688
Trypanosoma cruzi	cysteine peptidase, putative	0.0112	0.1495	0.2512
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.3688	0.6197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.021	0.3688	1
Plasmodium falciparum	carbonic anhydrase	0.0134	0.1984	0.5378
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0112	0.1495	0.1519
Entamoeba histolytica	cysteine proteinase, putative	0.0144	0.2193	0.5946
Echinococcus granulosus	cathepsin l1	0.021	0.3688	0.3688
Entamoeba histolytica	cysteine proteinase, putative	0.0112	0.1495	0.4054
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0248	0.4525	0.7603
Trypanosoma cruzi	cysteine protease, putative	0.0112	0.1495	0.2512
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.021	0.3688	0.3688
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.3688	0.6197
Echinococcus granulosus	cathepsin b	0.0312	0.5952	0.5952
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Entamoeba histolytica	cysteine protease, putative	0.021	0.3688	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1984	0.1984
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0477	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1984	0.1984
Brugia malayi	Cathepsin L-like precursor	0.0144	0.2193	0.3685
Onchocerca volvulus		0.021	0.3688	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0112	0.1495	0.1519
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0312	0.5952	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0248	0.4525	0.4525
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Onchocerca volvulus	Cathepsin L homolog	0.021	0.3688	1
Schistosoma mansoni	carbonic anhydrase	0.0134	0.1984	0.2015
Onchocerca volvulus		0.021	0.3688	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.1984	0.3333
Echinococcus multilocularis	cathepsin L	0.0112	0.1495	0.1495
Plasmodium vivax	vivapain-1	0.0112	0.1495	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0312	0.5952	0.6048
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Schistosoma mansoni	cathepsin F (C01 family)	0.0144	0.2193	0.2228
Echinococcus granulosus	cathepsin b	0.0312	0.5952	0.5952
Echinococcus multilocularis	cathepsin b	0.0312	0.5952	0.5952
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0134	0.1984	0.3333
Loa Loa (eye worm)	cathepsin B	0.0128	0.1841	0.1841
Entamoeba histolytica	cysteine proteinase, putative	0.0112	0.1495	0.4054
Giardia lamblia	Cathepsin B precursor	0.0128	0.1841	1
Echinococcus granulosus	cathepsin L	0.0112	0.1495	0.1495
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0128	0.1841	0.114
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.021	0.3688	0.3688
Echinococcus granulosus	cathepsin L cysteine protease	0.0112	0.1495	0.1495
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0248	0.4525	0.7603
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.3688	0.6197
Onchocerca volvulus		0.021	0.3688	1
Plasmodium vivax	vivapain-2	0.021	0.3688	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.021	0.3688	0.3688
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0112	0.1495	0.1519
Trypanosoma cruzi	cysteine proteinase, putative	0.0112	0.1495	0.2512
Onchocerca volvulus		0.0144	0.2193	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0144	0.2193	0.2193
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0067	0.0477	0.0801
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0312	0.5952	0.6048
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Echinococcus multilocularis	cysteine protease	0.021	0.3688	0.3688
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.3688	0.6197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.3688	0.6197
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0067	0.0477	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0187	0.3161	0.3161
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Brugia malayi	Papain family cysteine protease containing protein	0.0112	0.1495	0.2512
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0477	0.0801
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.2193	0.2193
Trypanosoma brucei	carbonic anhydrase-like protein	0.0248	0.4525	1
Echinococcus multilocularis	cysteine protease	0.021	0.3688	0.3688
Loa Loa (eye worm)	ctsf protein	0.021	0.3688	0.3688
Echinococcus granulosus	cysteine protease	0.0112	0.1495	0.1495
Echinococcus granulosus	cathepsin l cysteine peptidase	0.021	0.3688	0.3688
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0112	0.1495	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0144	0.2193	0.2193
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Onchocerca volvulus		0.021	0.3688	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0477	0.0477
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Leishmania major	cysteine peptidase A (CPA)	0.021	0.3688	0.6882
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Schistosoma mansoni	cathepsin F (C01 family)	0.021	0.3688	0.3748
Brugia malayi	Cathepsin L-like precursor	0.021	0.3688	0.6197
Echinococcus granulosus	carbonic anhydrase	0.0134	0.1984	0.1984
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.1984	0.1984
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.3688	0.6197
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.1984	0.2015
Schistosoma mansoni	hypothetical protein	0.0134	0.1984	0.2015
Brugia malayi	Tyrosine-protein kinase abl-1	0.0201	0.3473	0.5835
Leishmania major	carbonic anhydrase-like protein	0.0248	0.4525	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0144	0.2193	0.5946
Onchocerca volvulus	Cathepsin L homolog	0.021	0.3688	1
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.0112	0.1495	0.4054
Giardia lamblia	Cathepsin B precursor	0.0128	0.1841	1
Echinococcus multilocularis	carbonic anhydrase	0.0134	0.1984	0.1984
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.021	0.3688	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0128	0.1841	0.187
Schistosoma mansoni	cathepsin F (C01 family)	0.021	0.3688	0.3748
Entamoeba histolytica	cysteine proteinase 1, putative	0.0112	0.1495	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.021	0.3688	0.3688
Trypanosoma cruzi	cruzipain precursor, putative	0.021	0.3688	0.6197
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.021	0.3688	0.3688
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Brugia malayi	Cathepsin L-like precursor	0.021	0.3688	0.6197
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.1984	0.2015
Brugia malayi	Papain family cysteine protease containing protein	0.0112	0.1495	0.2512
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0493	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.0493	1	1
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0248	0.4525	0.7603
Brugia malayi	Tyrosine-protein kinase abl-1	0.0299	0.5662	0.9512
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0112	0.1495	0.2512
Plasmodium vivax	unspecified product	0.0067	0.0477	0.1292
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0201	0.3473	0.3473
Entamoeba histolytica	cysteine protease, putative	0.0112	0.1495	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.4525	0.4598
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.3688	1
Schistosoma mansoni	carbonic anhydrase-related	0.0134	0.1984	0.2015
Leishmania major	cathepsin L-like protease	0.021	0.3688	0.6882
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0144	0.2193	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.3688	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0134	0.1984	0.1984
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0128	0.1841	0.4991
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0248	0.4525	0.4598
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.3688	0.7238
Schistosoma mansoni	tyrosine kinase	0.0486	0.9842	1
Echinococcus granulosus	cathepsin l1	0.0144	0.2193	0.2193
Brugia malayi	cathepsin B-like cysteine proteinase	0.0312	0.5952	1
Toxoplasma gondii	hypothetical protein	0.0134	0.1984	0.5378

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 6.74 nM	Cytotoxicity against human MCF7 cells after 48 hrs by sulforhodamine-B assay	ChEMBL.	25255434
Ki (binding)	= 24.4 nM	Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	25255434
Ki (binding)	= 48.5 nM	Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	25255434
Ki (binding)	= 60.7 nM	Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	25255434
Ki (binding)	= 205 nM	Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	25255434
Ratio Ki (binding)	= 5	Ratio of acetazolamide Ki to compound Ki for human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay	ChEMBL.	25255434
Survival (functional)	= 0.27 %	Cytotoxicity against human MCF7 cells assessed as cell survival at 10 uM after 48 hrs by sulforhodamine-B assay	ChEMBL.	25255434

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25255434

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: CHEMBL3342496

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 934862