TDR Targets

Basic information

Technical information

TDR Targets ID: 1088896
Name: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(3,4-dimeth oxyphenyl)ethyl]acetamide
MW: 349.809 | Formula: C18H20ClNO4
H donors: 2 H acceptors: 2 LogP: 3.31 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CCNC(=O)Cc2ccc(c(c2)Cl)O)ccc1OC
InChi: 1S/C18H20ClNO4/c1-23-16-6-4-12(10-17(16)24-2)7-8-20-18(22)11-13-3-5-15(21)14(19)9-13/h3-6,9-10,21H,7-8,11H2,1-2H3,(H,20,22)
InChiKey: CNGFCLHONMXJKJ-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

2-(3-chloro-4-hydroxy-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-(3-chloro-4-hydroxy-phenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)		References
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
Mycobacterium tuberculosis	Beta-carbonic anhydrase		References
Candida albicans	Involved in protection against oxidative damage	Starlite/ChEMBL	References
Cryptococcus neoformans var. grubii	Carbonic anhydrase 2	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania donovani	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Mycobacterium tuberculosis	Probable conserved transmembrane protein	Get druggable targets OG5_129533	All targets in OG5_129533
Mycobacterium leprae	Probable transmembrane transport protein	Get druggable targets OG5_129533	All targets in OG5_129533
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_135410	All targets in OG5_135410
Trypanosoma brucei	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 congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_135410	All targets in OG5_135410
Mycobacterium ulcerans	carbonic anhydrase	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	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
Mycobacterium ulcerans	integral membrane transporter	Get druggable targets OG5_129533	All targets in OG5_129533
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_135410	All targets in OG5_135410
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	Get druggable targets OG5_129533	All targets in OG5_129533
Plasmodium yoelii	sulfate permease family protein	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania mexicana	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma congolense	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania major	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
Mycobacterium tuberculosis	Beta-carbonic anhydrase	Get druggable targets OG5_135410	All targets in OG5_135410
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Theileria parva	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania major	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	Get druggable targets OG5_129533	All targets in OG5_129533
Entamoeba histolytica	carbonic anhydrase, 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
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	Get druggable targets OG5_129533	All targets in OG5_129533
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Plasmodium berghei	inorganic anion antiporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Candida albicans	Involved in protection against oxidative damage	Get druggable targets OG5_127503	All targets in OG5_127503
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	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	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
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	Get druggable targets OG5_127503	All targets in OG5_127503
Plasmodium vivax	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
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
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Get druggable targets OG5_127503	All targets in OG5_127503
Neospora caninum	hypothetical protein	Get druggable targets OG5_129533	All targets in OG5_129533
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	Get druggable targets OG5_129533	All targets in OG5_129533
Babesia bovis	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Plasmodium knowlesi	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Candida albicans	hypothetical protein	Get druggable targets OG5_135410	All targets in OG5_135410
Candida albicans	hypothetical protein	Get druggable targets OG5_135410	All targets in OG5_135410
Chlamydia trachomatis	sulfate transporter	Get druggable targets OG5_129533	All targets in OG5_129533
Trypanosoma congolense	hypothetical protein, conserved	Get druggable targets OG5_129533	All targets in OG5_129533
Brugia malayi	Putative carbonic anhydrase 5 precursor	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
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	Get druggable targets OG5_129533	All targets in OG5_129533
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127503	All targets in OG5_127503
Leishmania infantum	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania braziliensis	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	Get druggable targets OG5_129533	All targets in OG5_129533
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Carbonic anhydrase like protein 2 precursor	carbonic anhydrase II	260 aa	259 aa	32.0 %
Trypanosoma brucei	carbonic anhydrase-like protein	carbonic anhydrase I	261 aa	281 aa	25.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.0612	0.0612
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0335	0.1916	0.3952
Schistosoma mansoni	hypothetical protein	0.0179	0.0918	0.1016
Echinococcus multilocularis	geminin	0.0179	0.0918	0.0918
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0583	0.3497	0.4802
Brugia malayi	RNA binding protein	0.0131	0.0612	0.1263
Loa Loa (eye worm)	carbonic anhydrase 3	0.0181	0.0929	0.1917
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0612	0.0678
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.0929	1
Echinococcus granulosus	snurportin 1	0.0335	0.1916	0.2121
Schistosoma mansoni	hypothetical protein	0.0335	0.1916	0.2121
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0002	0.0002
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.0612	0.1263
Trichomonas vaginalis	conserved hypothetical protein	0.1472	0.9184	1
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0039	0.0025	0.1231
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0039	0.0025	0.0027
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0025	0.0025
Echinococcus multilocularis	microtubule associated protein 2	0.1449	0.9034	0.9034
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.0612	0.1263
Brugia malayi	TAR-binding protein	0.0131	0.0612	0.1263
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0612	0.0678
Trypanosoma brucei	glucosidase, putative	0.0039	0.0025	0.0274
Echinococcus granulosus	tar DNA binding protein	0.0131	0.0612	0.0678
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0025	0.1253
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0067	0.0203	0.0418
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0612	0.0678
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0039	0.0025	0.0269
Echinococcus granulosus	carbonic anhydrase II	0.0181	0.0929	0.1028
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0061	0.0068
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0025	0.0069
Loa Loa (eye worm)	hypothetical protein	0.025	0.1371	0.2828
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0039	0.0025	0.0269
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0203	0.0418
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0039	0.0025	0.0028
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0111	0.0228
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0067	0.0203	0.0418
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0181	0.0929	0.1917
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.01	0.0205
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0612	0.0678
Schistosoma mansoni	microtubule-associated protein tau	0.1449	0.9034	1
Echinococcus multilocularis	carbonic anhydrase II	0.0181	0.0929	0.0929
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.0929	0.1028
Schistosoma mansoni	carbonic anhydrase	0.0067	0.0203	0.0224
Trichomonas vaginalis	conserved hypothetical protein	0.1472	0.9184	1
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0312	0.1771	0.2432
Schistosoma mansoni	hypothetical protein	0.0067	0.0203	0.0224
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.0929	0.1028
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.0929	1
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.0612	0.0678
Onchocerca volvulus		0.0247	0.135	1
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0203	0.0224
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0025	0.0028
Echinococcus multilocularis	muscleblind protein 1	0.0794	0.4848	0.4848
Mycobacterium ulcerans	carbonic anhydrase	0.1472	0.9184	1
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.0612	0.1263
Echinococcus granulosus	microtubule associated protein 2	0.1449	0.9034	1
Mycobacterium ulcerans	carbonic anhydrase	0.061	0.3673	0.4
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0025	0.0274
Chlamydia trachomatis	sulfate transporter	0.0039	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0794	0.4848	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0061	0.0068
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0111	0.0228
Echinococcus granulosus	lysosomal alpha glucosidase	0.0177	0.0907	0.1005
Mycobacterium leprae	Probable transmembrane transport protein	0.0285	0.1595	0.4341
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0025	0.0274
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0025	0.0065
Schistosoma mansoni	hypothetical protein	0.0179	0.0918	0.1016
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0203	0.0418
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0025	0.0052
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0203	0.0224
Echinococcus multilocularis	snurportin 1	0.0335	0.1916	0.1916
Schistosoma mansoni	carbonic anhydrase	0.061	0.3673	0.4066
Mycobacterium ulcerans	integral membrane transporter	0.0039	0.0025	0.0027
Brugia malayi	hypothetical protein	0.025	0.1371	0.2828
Brugia malayi	Muscleblind-like protein	0.0794	0.4848	1
Loa Loa (eye worm)	hypothetical protein	0.0794	0.4848	1
Schistosoma mansoni	alpha glucosidase	0.0039	0.0025	0.0028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0061	0.0061
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0039	0.0025	0.0028
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0025	0.0065
Toxoplasma gondii	hypothetical protein	0.0067	0.0203	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0177	0.0907	0.0907
Schistosoma mansoni	hypothetical protein	0.0036	0.0004	0.0004
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0203	0.0203
Echinococcus multilocularis	survival motor neuron protein 1	0.025	0.1371	0.1371
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0025	0.0028
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0061	0.0126
Trypanosoma brucei	carbonic anhydrase-like protein	0.0181	0.0929	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0002	0.0002
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0025	0.0028
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0203	0.0418
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0181	0.0929	0.1917
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0111	0.0228
Echinococcus multilocularis	muscleblind protein	0.0794	0.4848	0.4848
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0025	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0111	0.0228
Leishmania major	carbonic anhydrase family protein, putative	0.061	0.3673	1
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0285	0.1595	0.219
Onchocerca volvulus		0.0051	0.01	0.0738
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0025	0.0052
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0039	0.0025	0.0269
Onchocerca volvulus	Putative sulfate transporter	0.0247	0.135	1
Loa Loa (eye worm)	RNA binding protein	0.0131	0.0612	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0203	0.0418
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0203	0.0224
Echinococcus granulosus	muscleblind protein	0.0794	0.4848	0.5366
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0203	0.0224
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0061	0.0068
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0002	0.0002
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0004	0.0008
Schistosoma mansoni	alpha-glucosidase	0.0153	0.075	0.083
Plasmodium falciparum	carbonic anhydrase	0.0067	0.0203	1
Leishmania major	carbonic anhydrase-like protein	0.0181	0.0929	0.2529
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0203	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0203	0.0418
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0061	0.0068
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0025	0.0028
Onchocerca volvulus		0.0103	0.043	0.3181
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0025	0.0028
Plasmodium vivax	sulfate transporter, putative	0.0039	0.0025	1
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0203	0.0203
Schistosoma mansoni	alpha-glucosidase	0.0153	0.075	0.083
Brugia malayi	hypothetical protein	0.0036	0.0002	0.0003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0061	0.0068
Echinococcus granulosus	survival motor neuron protein 1	0.025	0.1371	0.1517
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0177	0.0907	0.1872
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0025	0.0028
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0039	0.0025	0.0027
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.061	0.3673	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0177	0.0907	0.0907
Schistosoma mansoni	hypothetical protein	0.0036	0.0002	0.0002
Entamoeba histolytica	carbonic anhydrase, putative	0.061	0.3673	1
Schistosoma mansoni	hypothetical protein	0.0051	0.01	0.011
Schistosoma mansoni	survival motor neuron protein	0.0051	0.01	0.011
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1175	0.7282	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0177	0.0907	0.1872
Brugia malayi	RNA, U transporter 1	0.0089	0.0344	0.071
Echinococcus granulosus	geminin	0.0179	0.0918	0.1016
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.1219	0.1673
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0203	0.0203
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0025	0.0028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0004	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0203	0.0418
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0181	0.0929	0.1917
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0067	0.0203	0.0418
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0061	0.0126
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0203	0.0224

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.75 uM	Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 0.86 uM	Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 0.9 uM	Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 1.78 uM	Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 11.5 uM	Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 11.9 uM	Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Kinact (binding)	= 79 nM	Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method	ChEMBL.	19962903
Kinact (binding)	= 94 nM	Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method	ChEMBL.	19962903
Kinact (binding)	= 11.5 uM	Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method	ChEMBL.	19962903
Kinact (binding)	= 11.9 uM	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method	ChEMBL.	19962903

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.

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External resources for this compound

ChEMBL: CHEMBL589604

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1088896