TDR Targets

Basic information

Technical information

TDR Targets ID: 157320
Name: 1-(5-chloro-2,4-disulfamoylphenyl)-3-(2,3,4,5 ,6-pentafluorophenyl)urea
MW: 494.801 | Formula: C13H8ClF5N4O5S2
H donors: 4 H acceptors: 5 LogP: 1.3 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1c(F)c(F)c(c(c1F)F)F)Nc1cc(Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N
InChi: 1S/C13H8ClF5N4O5S2/c14-3-1-4(6(30(21,27)28)2-5(3)29(20,25)26)22-13(24)23-12-10(18)8(16)7(15)9(17)11(12)19/h1-2H,(H2,20,25,26)(H2,21,27,28)(H2,22,23,24)
InChiKey: HESBNIVSCLSQHX-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

1-(5-chloro-2,4-disulfamoyl-phenyl)-3-(2,3,4,5,6-pentafluorophenyl)urea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
Bos taurus	Carbonic anhydrase IV	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	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
Echinococcus multilocularis	carbonic anhydrase 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
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127628	All targets in OG5_127628
Echinococcus granulosus	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei gambiense	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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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 mexicana	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 mansoni	carbonic anhydrase II (carbonate dehydratase 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
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania mexicana	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	287 aa	26.8 %
Leishmania infantum	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	277 aa	26.7 %
Brugia malayi	Carbonic anhydrase like protein 2 precursor	Carbonic anhydrase IV	312 aa	268 aa	24.6 %
Leishmania braziliensis	carbonic anhydrase-like protein	Carbonic anhydrase IV	312 aa	277 aa	25.6 %
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Carbonic anhydrase IV	312 aa	322 aa	28.3 %
Echinococcus granulosus	carbonic anhydrase	Carbonic anhydrase IV	312 aa	304 aa	29.6 %
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Carbonic anhydrase IV	312 aa	264 aa	25.4 %
Loa Loa (eye worm)	hypothetical protein	Carbonic anhydrase IV	312 aa	268 aa	25.4 %
Onchocerca volvulus		Carbonic anhydrase IV	312 aa	252 aa	23.4 %
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Carbonic anhydrase IV	312 aa	253 aa	26.9 %
Trypanosoma brucei	carbonic anhydrase-like protein	carbonic anhydrase I	261 aa	281 aa	25.3 %
Echinococcus multilocularis	carbonic anhydrase	Carbonic anhydrase IV	312 aa	259 aa	30.1 %
Schistosoma mansoni	carbonic anhydrase-related	Carbonic anhydrase IV	312 aa	264 aa	24.2 %
Schistosoma mansoni	carbonic anhydrase-related	Carbonic anhydrase IV	312 aa	265 aa	26.0 %
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
Trichomonas vaginalis	tubulin, putative	0.0091	0.0222	0.3433
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Toxoplasma gondii	beta-1 tubulin, putative	0.0091	0.0222	0.033
Trichomonas vaginalis	tubulin alpha chain, putative	0.0091	0.0222	0.3433
Echinococcus multilocularis	tubulin gamma 1 chain	0.0045	0.0038	0.0038
Echinococcus granulosus	thymidylate synthase	0.0379	0.1357	0.1357
Echinococcus granulosus	tubulin alpha chain	0.0045	0.0038	0.0038
Echinococcus granulosus	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Schistosoma mansoni	hypothetical protein	0.0101	0.0259	0.0222
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0057	0.0088	0.0088
Echinococcus multilocularis	tubulin alpha chain	0.0045	0.0038	0.0038
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.1459	0.561	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0045	0.0038	0.0038
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0095	0.0236	0.0236
Onchocerca volvulus		0.0379	0.1357	1
Echinococcus multilocularis	carbonic anhydrase II	0.0214	0.0707	0.0707
Brugia malayi	Tubulin beta-1 chain	0.0091	0.0222	0.0185
Echinococcus multilocularis	epidermal growth factor receptor	0.0095	0.0236	0.0236
Echinococcus multilocularis	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0259	0.0259
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0259	0.0222
Echinococcus granulosus	tubulin gamma 1 chain	0.0045	0.0038	0.0038
Trypanosoma brucei	beta tubulin	0.0091	0.0222	0.033
Echinococcus granulosus	Tubulin alpha 1 chain	0.0045	0.0038	0.0038
Entamoeba histolytica	tubulin family protein	0.0091	0.0222	1
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0259	0.0222
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.1459	0.561	1
Toxoplasma gondii	beta tubulin	0.0091	0.0222	0.033
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0101	0.0259	0.0259
Schistosoma mansoni	tubulin subunit beta	0.0091	0.0222	0.0185
Echinococcus granulosus	tubulin alpha chain	0.0045	0.0038	0.0038
Echinococcus granulosus	dihydrofolate reductase	0.2572	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0045	0.0038	0.0038
Plasmodium falciparum	tubulin beta chain	0.0091	0.0222	0.033
Loa Loa (eye worm)	tubulin beta-1 chain	0.0091	0.0222	0.0222
Echinococcus granulosus	carbonic anhydrase II	0.0214	0.0707	0.0707
Echinococcus multilocularis	insulin receptor	0.0057	0.0088	0.0088
Echinococcus granulosus	alpha tubulin	0.0045	0.0038	0.0038
Echinococcus granulosus	tubulin alpha 3 chain	0.0045	0.0038	0.0038
Echinococcus granulosus	insulin receptor	0.0057	0.0088	0.0088
Echinococcus granulosus	tubulin alpha 1C chain	0.0045	0.0038	0.0038
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0259	0.0222
Brugia malayi	Immunoglobulin I-set domain containing protein	0.02	0.065	0.0615
Echinococcus granulosus	peroxisome assembly protein 26	0.0045	0.0038	0.0038
Trichomonas vaginalis	tubulin gamma chain, putative	0.0091	0.0222	0.3433
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0045	0.0038	0.0038
Echinococcus multilocularis	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0259	0.0259
Schistosoma mansoni	tubulin subunit beta	0.0091	0.0222	0.0185
Schistosoma mansoni	dihydrofolate reductase	0.2572	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0091	0.0222	0.033
Echinococcus multilocularis	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Echinococcus granulosus	Tubulin alpha 1 chain	0.0045	0.0038	0.0038
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.2572	1	1
Schistosoma mansoni	tubulin subunit beta	0.0091	0.0222	0.0185
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0259	0.0259
Echinococcus multilocularis	tubulin alpha 3 chain	0.0045	0.0038	0.0038
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0379	0.1357	0.0832
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	dihydrofolate reductase	0.2572	1	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.1459	0.561	1
Brugia malayi	hypothetical protein	0.018	0.0574	0.0538
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0091	0.0222	0.3433
Entamoeba histolytica	tubulin family protein	0.0091	0.0222	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0045	0.0038	0.0038
Toxoplasma gondii	hypothetical protein	0.0101	0.0259	0.0397
Echinococcus multilocularis	tubulin alpha chain	0.0045	0.0038	0.0038
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.1459	0.561	1
Loa Loa (eye worm)	alpha-tubulin	0.0045	0.0038	0.0038
Loa Loa (eye worm)	tubulin alpha chain	0.0045	0.0038	0.0038
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0057	0.0088	0.0088
Brugia malayi	Furin-like cysteine rich region family protein	0.0175	0.0551	0.0515
Leishmania major	carbonic anhydrase-like protein	0.0214	0.0707	0.1201
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0214	0.0707	0.0672
Echinococcus multilocularis	tubulin alpha	0.0045	0.0038	0.0038
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0259	0.0259
Echinococcus granulosus	tubulin beta 1 chain	0.0091	0.0222	0.0222
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0091	0.0222	0.3433
Echinococcus granulosus	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0379	0.1357	0.1325
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	tubulin alpha chain	0.0045	0.0038	0.0038
Echinococcus granulosus	tubulin alpha 1C chain	0.0045	0.0038	0.0038
Echinococcus multilocularis	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Loa Loa (eye worm)	tubulin beta-2A chain	0.0091	0.0222	0.0222
Echinococcus multilocularis	hypothetical protein	0.0045	0.0038	0.0038
Trypanosoma brucei	beta tubulin	0.0091	0.0222	0.033
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.0259	0.0222
Loa Loa (eye worm)	dihydrofolate reductase	0.2572	1	1
Echinococcus granulosus	tubulin epsilon chain	0.0045	0.0038	0.0038
Loa Loa (eye worm)	thymidylate synthase	0.0379	0.1357	0.1357
Echinococcus granulosus	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Echinococcus granulosus	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Trichomonas vaginalis	conserved hypothetical protein	0.018	0.0574	1
Echinococcus granulosus	tubulin subunit TubB	0.0045	0.0038	0.0038
Schistosoma mansoni	tyrosine kinase	0.0095	0.0236	0.0199
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	0.0707	0.0672
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0045	0.0038	0.0038
Schistosoma mansoni	tyrosine kinase	0.0092	0.0224	0.0187
Trypanosoma brucei	beta tubulin	0.0091	0.0222	0.033
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	0.0707	0.1201
Chlamydia trachomatis	dihydrofolate reductase	0.2572	1	0.5
Echinococcus multilocularis		0.0053	0.0073	0.0073
Schistosoma mansoni	tyrosine kinase	0.0092	0.0224	0.0187
Schistosoma mansoni	tyrosine kinase	0.0092	0.0224	0.0187
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.2572	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0045	0.0038	0.0038
Loa Loa (eye worm)	tubulin gamma chain	0.0045	0.0038	0.0038
Echinococcus multilocularis	tubulin epsilon chain	0.0045	0.0038	0.0038
Schistosoma mansoni	tyrosine kinase	0.0057	0.0088	0.005
Brugia malayi	Protein kinase domain containing protein	0.0057	0.0088	0.005
Schistosoma mansoni	carbonic anhydrase	0.0101	0.0259	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0038	0.0038
Schistosoma mansoni	tyrosine kinase	0.0095	0.0236	0.0199
Echinococcus multilocularis	tubulin subunit TubB	0.0045	0.0038	0.0038
Echinococcus granulosus	epidermal growth factor receptor	0.0175	0.0551	0.0551
Echinococcus multilocularis	tubulin alpha 1C chain	0.0045	0.0038	0.0038
Echinococcus multilocularis	tubulin subunit beta	0.0091	0.0222	0.0222
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus granulosus	beta tubulin	0.0091	0.0222	0.0222
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.1459	0.561	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0045	0.0038	0.0038
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.02	0.065	0.065
Echinococcus granulosus	tubulin beta 4A class IVa	0.0091	0.0222	0.0222
Echinococcus granulosus	carbonic anhydrase	0.0101	0.0259	0.0259
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0259	0.0259
Loa Loa (eye worm)	beta-tubulin	0.0091	0.0222	0.0222
Loa Loa (eye worm)	carbonic anhydrase 3	0.0214	0.0707	0.0707
Loa Loa (eye worm)	alpha-tubulin	0.0045	0.0038	0.0038
Echinococcus multilocularis	beta tubulin	0.0091	0.0222	0.0222
Echinococcus granulosus	tubulin alpha chain	0.0045	0.0038	0.0038
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0259	0.0222
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.0259	0.0222
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Giardia lamblia	Beta tubulin	0.0091	0.0222	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0175	0.0551	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0259	0.0259
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	beta tubulin	0.0091	0.0222	0.0222
Giardia lamblia	Beta tubulin	0.0091	0.0222	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0259	0.0259
Loa Loa (eye worm)	TK/INSR protein kinase	0.0057	0.0088	0.0088
Trichomonas vaginalis	tubulin beta chain, putative	0.0091	0.0222	0.3433
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0214	0.0707	0.0672
Trypanosoma brucei	beta tubulin	0.0091	0.0222	0.033
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.1459	0.561	1
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.0259	0.0222
Brugia malayi	beta-tubulin, identical	0.0091	0.0222	0.0185
Echinococcus granulosus	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Schistosoma mansoni	tubulin subunit beta	0.0091	0.0222	0.0185
Echinococcus granulosus	tubulin alpha 3 chain	0.0045	0.0038	0.0038
Schistosoma mansoni	tyrosine kinase	0.0057	0.0088	0.005
Echinococcus multilocularis	tubulin beta 1 chain	0.0091	0.0222	0.0222
Brugia malayi	Dihydrofolate reductase	0.2572	1	1
Echinococcus granulosus	tubulin subunit beta	0.0091	0.0222	0.0222
Echinococcus granulosus	tubulin alpha chain	0.0045	0.0038	0.0038
Schistosoma mansoni	tyrosine kinase	0.0175	0.0551	0.0515
Echinococcus granulosus	tubulin alpha	0.0045	0.0038	0.0038
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.018	0.0574	0.0962
Schistosoma mansoni	tubulin subunit beta	0.0091	0.0222	0.0185
Echinococcus multilocularis	Tubulin beta 2C chain	0.0091	0.0222	0.0222
Loa Loa (eye worm)	tubulin beta-4 chain	0.0091	0.0222	0.0222
Schistosoma mansoni	tubulin subunit beta	0.0091	0.0222	0.0185
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0175	0.0551	0.0551
Trypanosoma cruzi	beta tubulin, putative	0.0091	0.0222	0.033
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	peroxisome assembly protein 26	0.0045	0.0038	0.0038
Toxoplasma gondii	beta-tubulin, putative	0.0091	0.0222	0.033
Echinococcus multilocularis	thymidylate synthase	0.0379	0.1357	0.1357
Echinococcus granulosus	beta tubulin	0.0091	0.0222	0.0222
Echinococcus multilocularis	tubulin alpha chain	0.0045	0.0038	0.0038
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	0.0707	0.0672
Brugia malayi	thymidylate synthase	0.0379	0.1357	0.1325
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0091	0.0222	0.0222
Giardia lamblia	Beta tubulin	0.0091	0.0222	1
Echinococcus granulosus	tubulin alpha chain	0.0045	0.0038	0.0038
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Loa Loa (eye worm)	BEN-1 protein	0.0091	0.0222	0.0222
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.0259	0.0259
Echinococcus multilocularis	tubulin alpha chain	0.0045	0.0038	0.0038
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	0.0707	0.1201
Loa Loa (eye worm)	tubulin beta chain	0.0091	0.0222	0.0222
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.0259	0.0222
Trypanosoma brucei	carbonic anhydrase-like protein	0.0214	0.0707	0.1201
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0214	0.0707	0.0707
Echinococcus granulosus	epidermal growth factor receptor	0.0095	0.0236	0.0236
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Echinococcus multilocularis	tubulin alpha 1C chain	0.0045	0.0038	0.0038
Leishmania major	beta tubulin	0.0091	0.0222	0.033
Onchocerca volvulus	Tyrosine kinase homolog	0.0176	0.0557	0.0407
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.2572	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0091	0.0222	0.0222
Plasmodium falciparum	carbonic anhydrase	0.0101	0.0259	0.0397

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 16 nM	In vitro inhibitory activity against human carbonic anhydrase II (hCAII)	ChEMBL.	15139757
Ki (binding)	= 16 nM	In vitro inhibitory activity against human carbonic anhydrase II (hCAII)	ChEMBL.	15139757
Ki (binding)	= 58 nM	In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)	ChEMBL.	15139757
Ki (binding)	= 58 nM	In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV)	ChEMBL.	15139757
Ki (binding)	= 740 nM	In vitro inhibitory activity against human carbonic anhydrase I (hCAI)	ChEMBL.	15139757
Ki (binding)	= 740 nM	In vitro inhibitory activity against human carbonic anhydrase I (hCAI)	ChEMBL.	15139757

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: CHEMBL94499
PubChem: 11329414

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 157320