TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 502.628 | Formula: C28H30N4O3S
H donors: 2 H acceptors: 3 LogP: 4 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1cc(n(c1C)c1ccc(cc1)S(=O)(=O)N)c1ccc2c(c1)cccc2)NCCN1CCCC1
InChi: 1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35)
InChiKey: ZVQZAALGXQRXQB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	carbonic anhydrase I	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase II	Starlite/ChEMBL	References
Homo sapiens	carbonic anhydrase IX	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	carbonic anhydrase 3	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
Leishmania infantum	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania mexicana	carbonic anhydrase-like protein	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
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
Brugia malayi	Putative carbonic anhydrase 5 precursor	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
Leishmania braziliensis	carbonic anhydrase-like protein	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
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	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 congolense	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
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0534	0.0534
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.1311	0.1943
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0.0534	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.0214	1	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1311	0.1311
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.4458	0.4458
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1311	0.1311
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2169	0.2169
Echinococcus granulosus	carbonic anhydrase	0.0101	0.4458	0.4458
Echinococcus multilocularis	Niemann Pick C1 protein	0.0146	0.6674	0.6674
Brugia malayi	jmjC domain containing protein	0.0094	0.4139	0.4139
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4458	0.4458
Entamoeba histolytica	hypothetical protein	0.0073	0.3109	0.6438
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.002	0.0534	0.0534
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0034	0.1217	0.1217
Brugia malayi	PHD-finger family protein	0.0029	0.0949	0.0949
Trypanosoma brucei	cytochrome P450, putative	0.0013	0.0171	0.0171
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0009	0.0006	0.0013
Echinococcus granulosus	Niemann Pick C1 protein	0.0102	0.4534	0.4534
Onchocerca volvulus		0.0029	0.0982	1
Echinococcus multilocularis	protein patched	0.0044	0.1688	0.1688
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0017	0.0362	0.0362
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0009	0.0006	0.0006
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0949	0.0949
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0171	0.0171
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0139	0.6344	0.6344
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.3109	0.3109
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.4139	0.4139
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.1244	0.1244
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0982	0.0982
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.1311	1
Entamoeba histolytica	hypothetical protein	0.0073	0.3109	0.6438
Entamoeba histolytica	hypothetical protein	0.0073	0.3109	0.6438
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.1433	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.4458	0.4458
Loa Loa (eye worm)	hypothetical protein	0.0076	0.3269	0.3269
Giardia lamblia	PHD finger protein 15	0.0029	0.0949	0.4624
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.1326	0.1326
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0011	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0102	0.4534	0.4534
Leishmania major	hypothetical protein, conserved	0.0076	0.3269	0.3269
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1311	0.1311
Schistosoma mansoni	patched 1	0.0044	0.1688	0.1688
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.3269	0.3269
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0171	0.0171
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0143	0.654	0.654
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0214	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0534	0.1197
Echinococcus multilocularis	expressed conserved protein	0.0096	0.4232	0.4232
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0949	0.0949
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0137	0.624	0.624
Brugia malayi	Niemann-Pick C1 protein precursor	0.0102	0.4534	0.4534
Echinococcus granulosus	Niemann Pick C1 protein	0.0146	0.6674	0.6674
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.1498	0.1498
Loa Loa (eye worm)	CYP4Cod1	0.0013	0.0171	0.0171
Toxoplasma gondii	hypothetical protein	0.0101	0.4458	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0949	0.0949
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.002	0.0534	0.0534
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0137	0.624	0.624
Echinococcus multilocularis	protein dispatched 1	0.005	0.199	0.199
Schistosoma mansoni	cpg binding protein	0.0031	0.1063	0.1063
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0011	0.0093	0.0209
Schistosoma mansoni	hypothetical protein	0.0042	0.161	0.161
Brugia malayi	CHE-14 protein	0.0044	0.1688	0.1688
Loa Loa (eye worm)	carbonic anhydrase 3	0.0214	1	1
Brugia malayi	hypothetical protein	0.0076	0.3269	0.3269
Schistosoma mansoni	hypothetical protein	0.0029	0.0949	0.0949
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0444	0.0444
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.1604	0.3598
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.1604	0.9275
Echinococcus multilocularis	peregrin	0.0032	0.1121	0.1121
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0034	0.1217	0.1217
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0137	0.624	0.624
Schistosoma mansoni	ap endonuclease	0.002	0.0534	0.0534
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	1	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.1311	0.6735
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.1604	0.4906
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.1688	0.1688
Schistosoma mansoni	hypothetical protein	0.0009	0.0006	0.0006
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0101	0.4458	0.4458
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1311	0.6735
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0214	1	1
Schistosoma mansoni	hypothetical protein	0.0034	0.1217	0.1217
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.1311	0.2941
Brugia malayi	hypothetical protein	0.0049	0.195	0.195
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0949	0.0949
Plasmodium vivax	ataxin-2 like protein, putative	0.0076	0.3269	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.1311	1
Brugia malayi	PHD-finger family protein	0.0011	0.0087	0.0087
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0143	0.654	0.654
Trypanosoma brucei	carbonic anhydrase-like protein	0.0214	1	1
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.1688	0.1688
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.4458	0.4458
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0137	0.624	0.624
Echinococcus granulosus	jumonji domain containing protein	0.004	0.1498	0.1498
Schistosoma mansoni	cpg binding protein	0.0031	0.1063	0.1063
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.4139	0.4139
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.1311	0.1311
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0009	0.0006	0.0006
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.1688	0.1688
Toxoplasma gondii	LsmAD domain-containing protein	0.0076	0.3269	0.7334
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0949	0.2904
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.2589	0.2589
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0104	0.4612	0.4612
Schistosoma mansoni	hypothetical protein	0.0042	0.161	0.161
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.1326	0.1326
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.2436	0.5464
Schistosoma mansoni	carbonic anhydrase	0.0101	0.4458	0.4458
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0101	0.4458	0.4458
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1311	0.1311
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1311	0.1311
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.1604	0.1604
Toxoplasma gondii	exonuclease III APE	0.002	0.0534	0.1197
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.4458	0.4458
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.3269	0.3269
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.1604	0.3598
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0137	0.624	0.624
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0171	0.0171
Toxoplasma gondii	PHD-finger domain-containing protein	0.0009	0.0006	0.0013
Echinococcus granulosus	peregrin	0.0032	0.1121	0.1121
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.4458	0.4458
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1311	0.1311
Echinococcus granulosus	cpg binding protein	0.0031	0.1063	0.1063
Brugia malayi	acetyltransferase, GNAT family protein	0.0143	0.654	0.654
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	1	1
Leishmania major	cytochrome p450-like protein	0.0013	0.0171	0.0171
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0171	0.0171
Plasmodium vivax	hypothetical protein, conserved	0.0011	0.0093	0.0285
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0949	0.213
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0949	0.0949
Echinococcus granulosus	carbonic anhydrase II	0.0214	1	1
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0949	0.213
Brugia malayi	hypothetical protein	0.0073	0.3109	0.3109
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.3109	0.3109
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.002	0.0534	0.0534
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0102	0.4534	1
Entamoeba histolytica	hypothetical protein	0.0073	0.3109	0.6438
Loa Loa (eye worm)	inositol-1	0.0036	0.1311	0.1311
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.624	0.624
Echinococcus granulosus	carbonic anhydrase	0.0101	0.4458	0.4458
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0171	0.0171
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.3109	0.3109
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0949	0.213
Echinococcus granulosus	expressed conserved protein	0.0096	0.4232	0.4232
Plasmodium falciparum	ataxin-2 like protein, putative	0.0076	0.3269	0.7334
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.002	0.0534	0.0534
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.1326	0.1326
Schistosoma mansoni	hypothetical protein	0.0042	0.161	0.161
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0214	1	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0982	0.0982
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0011	0.0082	0.0082
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.4458	0.4458
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.002	0.0534	0.3183
Trypanosoma brucei	PAB1-binding protein , putative	0.0076	0.3269	0.3269
Brugia malayi	AF-10 protein	0.0009	0.0006	0.0006
Echinococcus multilocularis	carbonic anhydrase	0.0101	0.4458	0.4458
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.4458	0.4458
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.1126	0.5
Schistosoma mansoni	ap endonuclease	0.002	0.0534	0.0534
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.2442	0.2442
Schistosoma mansoni	hypothetical protein	0.0073	0.3109	0.3109
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.002	0.0534	0.1632
Plasmodium falciparum	carbonic anhydrase	0.0101	0.4458	1
Schistosoma mansoni	hypothetical protein	0.0042	0.161	0.161
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0137	0.624	0.624
Loa Loa (eye worm)	acetyltransferase	0.0143	0.654	0.654
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1311	0.6735
Echinococcus multilocularis	cpg binding protein	0.0031	0.1063	0.1063
Schistosoma mansoni	carbonic anhydrase-related	0.0101	0.4458	0.4458
Brugia malayi	exodeoxyribonuclease III family protein	0.002	0.0534	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0087	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.1688	1
Schistosoma mansoni	hypothetical protein	0.0101	0.4458	0.4458
Brugia malayi	jmjC domain containing protein	0.0036	0.1326	0.1326
Leishmania major	carbonic anhydrase-like protein	0.0214	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0101	0.4458	0.4458
Echinococcus multilocularis	Niemann Pick C1 protein	0.0102	0.4534	0.4534
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.624	0.624
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.002	0.0534	0.0534
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.1326	0.1326
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.3195	0.3195
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.1604	0.9275
Plasmodium falciparum	ataxin-2 like protein, putative	0.0076	0.3269	0.7334
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.624	0.624
Brugia malayi	Bromodomain containing protein	0.0032	0.1121	0.1121
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0214	1	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0982	0.0982
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1951	0.1951
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.1311	0.1311
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.1433	0.3214
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.1126	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.1688	0.1688
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4458	0.4458
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.1433	0.2247
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.1688	0.1688
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0101	0.4458	0.4458
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.002	0.0534	0.0534
Brugia malayi	Inositol-1	0.0036	0.1311	0.1311
Echinococcus granulosus	carbonic anhydrase	0.0101	0.4458	0.4458

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 10 nM	Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay	ChEMBL.	20880712
Ki (binding)	= 30 nM	Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay	ChEMBL.	20880712
Ki (binding)	= 5940 nM	Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay	ChEMBL.	20880712

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: CHEMBL1270531

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1248609