TDR Targets

Basic information

Technical information

TDR Targets ID: 1088694
Name: 2-(3-chloro-4-hydroxyphenyl)-N-(phenylmethyl) acetamide
MW: 275.73 | Formula: C15H14ClNO2
H donors: 2 H acceptors: 2 LogP: 2.9 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1ccc(c(c1)Cl)O)NCc1ccccc1
InChi: 1S/C15H14ClNO2/c16-13-8-12(6-7-14(13)18)9-15(19)17-10-11-4-2-1-3-5-11/h1-8,18H,9-10H2,(H,17,19)
InChiKey: DEUPTZFEFNDUTO-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-(phenylmethyl)acetamide
N-(benzyl)-2-(3-chloro-4-hydroxy-phenyl)acetamide
2-(3-chloro-4-hydroxy-phenyl)-N-(phenylmethyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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 I	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Theileria parva	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Mycobacterium ulcerans	carbonic anhydrase	Get druggable targets OG5_127503	All targets in OG5_127503
Leishmania infantum	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
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 donovani	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Candida albicans	hypothetical protein	Get druggable targets OG5_135410	All targets in OG5_135410
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	Get druggable targets OG5_129533	All targets in OG5_129533
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	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
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
Leishmania braziliensis	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
Mycobacterium ulcerans	integral membrane transporter	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania mexicana	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Babesia bovis	sulfate transporter, putative	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_127628	All targets in OG5_127628
Trypanosoma brucei	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
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	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
Plasmodium yoelii	sulfate permease family protein	Get druggable targets OG5_129533	All targets in OG5_129533
Neospora caninum	hypothetical protein	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
Schistosoma japonicum	ko:K01672 carbonic anhydrase [EC4.2.1.1], putative	Get druggable targets OG5_127503	All targets in OG5_127503
Candida albicans	hypothetical protein	Get druggable targets OG5_135410	All targets in OG5_135410
Trichomonas vaginalis	conserved hypothetical protein	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
Plasmodium berghei	inorganic anion antiporter, putative	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
Plasmodium vivax	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania infantum	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	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
Echinococcus granulosus	carbonic anhydrase II	Get druggable targets OG5_127628	All targets in OG5_127628
Mycobacterium tuberculosis	Probable conserved transmembrane 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
Candida albicans	Involved in protection against oxidative damage	Get druggable targets OG5_127503	All targets in OG5_127503
Chlamydia trachomatis	sulfate transporter	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
Leishmania mexicana	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma brucei gambiense	hypothetical protein, conserved	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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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
Trypanosoma congolense	carbonic anhydrase-like 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
Leishmania braziliensis	carbonic anhydrase family protein, putative	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 cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, 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
Schistosoma mansoni	carbonic anhydrase	Get druggable targets OG5_127503	All targets in OG5_127503
Entamoeba histolytica	carbonic anhydrase, 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
Mycobacterium tuberculosis	Beta-carbonic anhydrase	Get druggable targets OG5_135410	All targets in OG5_135410
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Mycobacterium leprae	Probable transmembrane transport protein	Get druggable targets OG5_129533	All targets in OG5_129533
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	Get druggable targets OG5_129533	All targets in OG5_129533

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
Plasmodium falciparum	carbonic anhydrase	0.0067	0.0263	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0058	0.0038
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0058	0.0198
Echinococcus granulosus	zinc finger protein	0.0044	0.0105	0.0092
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0058	0.0031
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0039	0.0066	0.0052
Chlamydia trachomatis	sulfate transporter	0.0039	0.007	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0058	0.0031
Echinococcus granulosus	lamin dm0	0.0054	0.0175	0.0224
Toxoplasma gondii	aldehyde dehydrogenase	0.0329	0.2074	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0058	0.0512
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0181	0.1051	0.9237
Onchocerca volvulus	Huntingtin homolog	0.014	0.0767	0.4892
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0051	0.0152	0.0214
Schistosoma mansoni	carbonic anhydrase	0.061	0.4026	0.7519
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0329	0.2074	0.3818
Brugia malayi	beta-lactamase family protein	0.0038	0.0058	0.0512
Echinococcus granulosus	pyruvate kinase	0.0037	0.0058	0.0002
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0175	0.1538
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.061	0.4026	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0329	0.2074	0.5107
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0037	0.0058	0.003
Leishmania major	hypothetical protein, conserved	0.0038	0.0058	0.005
Leishmania major	carbonic anhydrase-like protein	0.0181	0.1051	0.2539
Mycobacterium ulcerans	carbonic anhydrase	0.061	0.4026	0.3991
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0058	0.0508
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0058	0.0031
Echinococcus multilocularis	musashi	0.0054	0.0175	0.0322
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0039	0.007	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0058	0.0512
Schistosoma mansoni	hypothetical protein	0.0037	0.0057	0.0035
Trichomonas vaginalis	conserved hypothetical protein	0.1472	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0081	0.0362	0.0578
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0263	0.0487
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0153	0.0217
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0181	0.1051	0.9237
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0263	0.2314
Loa Loa (eye worm)	inositol-1	0.0038	0.0062	0.0541
Loa Loa (eye worm)	hypothetical protein	0.014	0.0767	0.6741
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0058	0.0344
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.1051	0.1909
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0058	0.0031
Brugia malayi	hypothetical protein	0.0037	0.0057	0.0497
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0193	0.1137	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0329	0.2074	0.388
Echinococcus granulosus	fetal alzheimer antigen falz	0.0051	0.0152	0.018
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0058	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0263	0.2314
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0285	0.1772	0.2199
Echinococcus granulosus	carbonic anhydrase II	0.0181	0.1051	0.1881
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0067	0.0263	0.2314
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0058	0.0512
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0058	0.0198
Onchocerca volvulus		0.0038	0.0058	0.0003
Onchocerca volvulus		0.0038	0.0058	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0175	0.1538
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0058	0.0031
Echinococcus granulosus	intermediate filament protein	0.0054	0.0175	0.0224
Toxoplasma gondii	ABC1 family protein	0.0038	0.0058	0.0002
Toxoplasma gondii	hypothetical protein	0.0067	0.0263	0.1018
Schistosoma mansoni	hypothetical protein	0.0067	0.0263	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.1472	1	1
Brugia malayi	Bromodomain containing protein	0.0087	0.0399	0.3509
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0263	0.0487
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0039	0.0066	0.0117
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0058	0.0038
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0193	0.1137	0.2125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0193	0.1137	0.2045
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0263	0.0424
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0135	0.0735	0.1371
Schistosoma mansoni	microtubule-associated protein tau	0.08	0.5341	1
Leishmania major	carbonic anhydrase family protein, putative	0.061	0.4026	1
Trypanosoma brucei	carbonic anhydrase-like protein	0.0181	0.1051	1
Mycobacterium ulcerans	integral membrane transporter	0.0039	0.007	0.0013
Brugia malayi	intermediate filament protein	0.0054	0.0175	0.1538
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1175	0.7938	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0058	0.0031
Onchocerca volvulus		0.0051	0.0153	0.0659
Brugia malayi	beta-lactamase	0.0038	0.0058	0.0512
Echinococcus multilocularis	geminin	0.0351	0.223	0.4172
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0039	0.0066	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0087	0.04	0.3518
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0062	0.0109
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0263	0.2314
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0175	0.1538
Onchocerca volvulus		0.0038	0.0058	0.0003
Echinococcus multilocularis	lamin	0.0054	0.0175	0.0322
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.1051	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0193	0.1137	0.2073
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0193	0.1137	0.2073
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0062	0.023
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0062	0.0004
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0058	0.0102
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0263	0.0391
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0062	0.0058
Brugia malayi	Bromodomain containing protein	0.017	0.0975	0.8571
Mycobacterium leprae	Probable transmembrane transport protein	0.0285	0.1772	0.4355
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0263	0.0391
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0057	0.0035
Schistosoma mansoni	hypothetical protein	0.0351	0.223	0.4134
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0329	0.2074	0.2028
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0057	0.01
Onchocerca volvulus	Putative sulfate transporter	0.0247	0.1507	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0058	0.0512
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0058	0.0508
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0039	0.0066	0.0017
Echinococcus multilocularis	microtubule associated protein 2	0.08	0.5341	1
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0062	0.0044
Schistosoma mansoni	lamin	0.0054	0.0175	0.0258
Onchocerca volvulus		0.0054	0.0175	0.0808
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0058	0.0103
Loa Loa (eye worm)	PHD-finger family protein	0.0047	0.0122	0.1072
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0263	0.2314
Echinococcus granulosus	lamin	0.0054	0.0175	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0153	0.1348
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0583	0.3834	0.4808
Echinococcus granulosus	pyruvate kinase	0.0037	0.0058	0.0002
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0058	0.0512
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0062	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0058	0.0508
Plasmodium vivax	sulfate transporter, putative	0.0039	0.007	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0058	0.0512
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0058	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0263	0.2314
Onchocerca volvulus		0.0247	0.1507	1
Brugia malayi	PHD-finger family protein	0.0056	0.0189	0.1662
Leishmania major	pyruvate kinase	0.0037	0.0058	0.0049
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0058	0.0003
Schistosoma mansoni	bromodomain containing protein	0.0143	0.0791	0.142
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.1051	1
Schistosoma mansoni	pyruvate kinase	0.0037	0.0058	0.0037
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0175	0.1538
Brugia malayi	beta-lactamase family protein	0.0038	0.0058	0.0512
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0039	0.007	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0168	0.1477
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0058	0.0102
Schistosoma mansoni	zinc finger protein	0.0044	0.0105	0.0127
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0037	0.0058	0.0508
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0263	0.0487
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0193	0.1137	0.2073
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0037	0.0058	0.0508
Onchocerca volvulus	Huntingtin homolog	0.014	0.0767	0.4892
Schistosoma mansoni	hypothetical protein	0.0351	0.223	0.4134
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.146	0.1804
Trypanosoma brucei	pyruvate kinase 1, putative	0.0037	0.0058	0.0194
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0039	0.0066	0.0052
Echinococcus granulosus	histone lysine methyltransferase setb	0.0039	0.0066	0.0017
Echinococcus multilocularis	carbonic anhydrase II	0.0181	0.1051	0.1962
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0039	0.007	0.0613
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0181	0.1051	0.9237
Schistosoma mansoni	aldehyde dehydrogenase	0.0329	0.2074	0.384
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0067	0.0263	0.2314
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0039	0.007	0.0318
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0062	0.5
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0312	0.1963	0.2441
Schistosoma mansoni	lamin	0.0054	0.0175	0.0258
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0263	0.0424
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0175	0.0258
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0081	0.0362	0.0672
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0329	0.2074	0.2028
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0263	0.0391
Onchocerca volvulus		0.0054	0.0175	0.0808
Echinococcus granulosus	tumor protein p63	0.035	0.2224	0.4102
Leishmania major	pyruvate kinase	0.0037	0.0058	0.0049
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0037	0.0058	0.0194
Trypanosoma brucei	pyruvate kinase 1	0.0037	0.0058	0.0194
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0062	0.0004
Brugia malayi	hypothetical protein	0.014	0.0767	0.6741
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0058	0.0512
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0062	0.0018
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0058	0.0031
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0329	0.2074	0.2582
Echinococcus multilocularis	tumor protein p63	0.035	0.2224	0.4161
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0135	0.0735	0.1284
Echinococcus multilocularis	zinc finger protein	0.0044	0.0105	0.0191
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0039	0.0066	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0058	0.0512
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0193	0.1137	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0051	0.0152	0.0279
Loa Loa (eye worm)	hypothetical protein	0.016	0.0908	0.7981
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0062	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0437	0.3845
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0058	0.0198
Loa Loa (eye worm)	hypothetical protein	0.014	0.0767	0.6741
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0037	0.0058	0.0194
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0058	0.0031
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0058	0.0508
Schistosoma mansoni	pyruvate kinase	0.0037	0.0058	0.0037
Schistosoma mansoni	aldehyde dehydrogenase	0.0329	0.2074	0.384
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0067	0.0263	0.2314
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0062	0.0004
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0039	0.007	0.0318
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.1051	0.1909
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0062	0.023
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0039	0.0066	0.0052
Schistosoma mansoni	hypothetical protein	0.0047	0.0122	0.0158
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0058	0.0061
Loa Loa (eye worm)	bromodomain containing protein	0.004	0.0075	0.0662
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0058	0.0031
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0329	0.2074	0.2028
Brugia malayi	Inositol-1	0.0038	0.0062	0.0541
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0058	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0066	0.0578
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0193	0.1137	0.2045
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0263	0.0424
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0193	0.1137	0.2125
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0467	0.4109
Schistosoma mansoni	carbonic anhydrase	0.0067	0.0263	0.0424
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0039	0.007	0.0013
Giardia lamblia	Pyruvate kinase	0.0037	0.0058	0.5
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0062	0.0009
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0263	0.2314
Entamoeba histolytica	carbonic anhydrase, putative	0.061	0.4026	1
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0062	0.0044
Echinococcus multilocularis	lamin dm0	0.0054	0.0175	0.0322
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0039	0.007	0.0318
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0037	0.0058	0.006
Echinococcus granulosus	microtubule associated protein 2	0.08	0.5341	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0062	0.023
Echinococcus granulosus	geminin	0.0351	0.223	0.4113
Loa Loa (eye worm)	carbonic anhydrase 3	0.0181	0.1051	0.9237

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	> 50 %	Cytotoxicity against human LNCAP cells assessed as inhibition of cell proliferation at 10 uM after 72 hrs by Alamar blue assay relative to control	ChEMBL.	25803573
Inhibition (functional)	> 50 %	Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei 427 assessed as inhibition of parasite replication at 10 uM after 72 hrs by resazurin assay relative to control	ChEMBL.	25803573
Inhibition (functional)	> 50 %	Antiparasitic activity against asexual intraerythrocytic stage of Plasmodium falciparum 3D7 assessed as inhibition of parasite replication at 10 uM after 72 hrs by DAPI staining-based microscopic analysis relative to control	ChEMBL.	25803573
Ki (binding)	= 0.72 uM	Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 0.78 uM	Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 0.98 uM	Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 10.5 uM	Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 11.4 uM	Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Ki (binding)	= 12.2 uM	Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay	ChEMBL.	21332115
Kinact (binding)	= 85 nM	Inhibition of human recombinant carbonic anhydrase 5B by stopped flow CO2 hydration method	ChEMBL.	19962903
Kinact (binding)	= 96 nM	Inhibition of human recombinant carbonic anhydrase 5A by stopped flow CO2 hydration method	ChEMBL.	19962903
Kinact (binding)	= 10.5 uM	Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method	ChEMBL.	19962903
Kinact (binding)	= 11.4 uM	Inhibition of human recombinant carbonic anhydrase 2 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: CHEMBL589354

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 1088694