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
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)		References
Mycobacterium tuberculosis	Beta-carbonic anhydrase		References
Cryptococcus neoformans var. grubii	Carbonic anhydrase 2	Starlite/ChEMBL	References
Candida albicans	Involved in protection against oxidative damage	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
Plasmodium berghei	inorganic anion antiporter, putative	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
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	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
Theileria parva	sulfate transporter, putative	Get druggable targets OG5_129533	All targets in OG5_129533
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	Get druggable targets OG5_127628	All targets in OG5_127628
Entamoeba histolytica	carbonic anhydrase, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	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
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	Get druggable targets OG5_129533	All targets in OG5_129533
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	Get druggable targets OG5_129533	All targets in OG5_129533
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 mexicana	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
Schistosoma mansoni	carbonic anhydrase	Get druggable targets OG5_127503	All targets in OG5_127503
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
Neospora caninum	hypothetical protein	Get druggable targets OG5_129533	All targets in OG5_129533
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_129533	All targets in OG5_129533
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	Get druggable targets OG5_127503	All targets in OG5_127503
Brugia malayi	Putative carbonic anhydrase 5 precursor	Get druggable targets OG5_127628	All targets in OG5_127628
Plasmodium vivax	sulfate transporter, 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
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Chlamydia trachomatis	sulfate transporter	Get druggable targets OG5_129533	All targets in OG5_129533
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania donovani	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Echinococcus granulosus	carbonic anhydrase II	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 brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, 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
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	Get druggable targets OG5_127503	All targets in OG5_127503
Trypanosoma congolense	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
Leishmania infantum	carbonic anhydrase family protein, putative	Get druggable targets OG5_127503	All targets in OG5_127503
Candida albicans	Involved in protection against oxidative damage	Get druggable targets OG5_127503	All targets in OG5_127503
Mycobacterium leprae	Probable transmembrane transport protein	Get druggable targets OG5_129533	All targets in OG5_129533
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	Get druggable targets OG5_129533	All targets in OG5_129533
Leishmania infantum	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
Mycobacterium tuberculosis	Beta-carbonic anhydrase	Get druggable targets OG5_135410	All targets in OG5_135410
Leishmania donovani	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
Mycobacterium ulcerans	carbonic anhydrase	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
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	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
Trypanosoma congolense	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	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
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
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase 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
Echinococcus multilocularis	carbonic anhydrase 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
Leishmania major	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

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

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