TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.206 | Formula: C9H6Cl2N4OS2
H donors: 2 H acceptors: 3 LogP: 3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nnc(s1)S)Nc1ccc(c(c1)Cl)Cl
InChi: 1S/C9H6Cl2N4OS2/c10-5-2-1-4(3-6(5)11)12-7(16)13-8-14-15-9(17)18-8/h1-3H,(H,15,17)(H2,12,13,14,16)
InChiKey: YXJPNYZVZNSOLX-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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	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
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania braziliensis	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Trypanosoma congolense	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Leishmania infantum	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
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
Brugia malayi	Eukaryotic-type carbonic anhydrase family 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
Leishmania major	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
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
Trypanosoma brucei gambiense	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
Trypanosoma brucei	carbonic anhydrase-like protein	Get druggable targets OG5_127628	All targets in OG5_127628
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	Get druggable targets OG5_127628	All targets in OG5_127628
Loa Loa (eye worm)	carbonic anhydrase 3	Get druggable targets OG5_127628	All targets in OG5_127628

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
Mycobacterium leprae	putative cytochrome p450	0.0004	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0004	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0193	0.0385
Echinococcus granulosus	multidrug resistance associated protein 7	0.0015	0.0132	0.0263
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0012	0.0091	0.0182
Brugia malayi	regulator of G-protein signaling egl-10	0.002	0.0193	0.0943
Leishmania major	ABC-thiol transporter	0.0015	0.0132	0.0643
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0181	0.2052	0.2052
Giardia lamblia	MRP-like ABC transporter	0.0015	0.0132	1
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.002	0.0193	0.0943
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0734	0.1464
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0015	0.0132	0.0263
Brugia malayi	multidrug resistance related protein 1	0.0015	0.0132	0.0643
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0734	0.3579
Loa Loa (eye worm)	hypothetical protein	0.002	0.0193	0.0193
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0044	0.0089
Leishmania major	pentamidine resistance protein 1	0.0015	0.0132	0.0643
Schistosoma mansoni	cpg binding protein	0.0031	0.0312	0.0621
Entamoeba histolytica	hypothetical protein	0.002	0.0193	1
Entamoeba histolytica	hypothetical protein	0.002	0.0193	1
Schistosoma mansoni	z-protein (S1r protein)	0.002	0.0193	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0004	0	0.5
Loa Loa (eye worm)	carbonic anhydrase 3	0.0181	0.2052	0.2052
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0015	0.0132	0.0643
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0004	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0734	0.0734
Echinococcus granulosus	Regulator of G protein signaling 20	0.002	0.0193	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0004	0	0.5
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0004	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0734	0.0734
Schistosoma mansoni	axis inhibition protein axin	0.002	0.0193	0.0385
Trypanosoma brucei	multidrug resistance protein E	0.0015	0.0132	0.0643
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.002	0.0193	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0734	0.0734
Brugia malayi	hypothetical protein	0.002	0.0193	0.0943
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.2052	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0181	0.2052	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.002	0.0193	0.0193
Echinococcus granulosus	axis inhibition protein axin	0.002	0.0193	0.0385
Mycobacterium leprae	Conserved hypothetical protein	0.0004	0	0.5
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.002	0.0193	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0004	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0193	0.0193
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0004	0	0.5
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0004	0	0.5
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0015	0.0132	0.0132
Schistosoma mansoni	axis inhibition protein axin	0.002	0.0193	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0004	0	0.5
Echinococcus multilocularis	regulator of G protein signaling	0.002	0.0193	0.0385
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.002	0.0193	0.0193
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0015	0.0132	0.0643
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0004	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0004	0	0.5
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0004	0	0.5
Echinococcus multilocularis	axis inhibition protein axin	0.002	0.0193	0.0385
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0067	0.0734	0.3579
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0004	0	0.5
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0065	0.0316
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0015	0.0132	0.0643
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0015	0.0132	0.0643
Loa Loa (eye worm)	RGS-3 protein	0.002	0.0193	0.0193
Giardia lamblia	ABC transporter, putative	0.0015	0.0132	1
Brugia malayi	PXA domain containing protein	0.002	0.0193	0.0943
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0004	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0193	1
Schistosoma mansoni	multidrug resistance protein	0.0015	0.0132	0.0263
Loa Loa (eye worm)	cytochrome P450 family protein	0.0024	0.0236	0.0236
Echinococcus multilocularis	regulator of G protein signaling 3	0.002	0.0193	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0004	0	0.5
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0181	0.2052	1
Leishmania major	p-glycoprotein e	0.0015	0.0132	0.0643
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0312	0.1518
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0193	0.0385
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0004	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0004	0	0.5
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0734	0.1464
Brugia malayi	Regulator of G protein signaling domain containing protein	0.002	0.0193	0.0943
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0004	0	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0437	0.5018	1
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0193	0.0385
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0193	0.0385
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0004	0	0.5
Echinococcus granulosus	carbonic anhydrase II	0.0181	0.2052	0.409
Schistosoma mansoni	multidrug resistance protein	0.0015	0.0132	0.0263
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0004	0	0.5
Onchocerca volvulus		0.0031	0.0312	0.5
Brugia malayi	PXA domain containing protein	0.002	0.0193	0.0943
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0015	0.0132	0.0132
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0193	1
Toxoplasma gondii	hypothetical protein	0.0067	0.0734	0.0734
Echinococcus granulosus	multidrug resistance associated protein 1	0.0015	0.0132	0.0263
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0004	0	0.5
Schistosoma mansoni	cpg binding protein	0.0032	0.0332	0.0661
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0004	0	0.5
Echinococcus multilocularis	beta adrenergic receptor kinase	0.002	0.0193	0.0385
Brugia malayi	Cytochrome P450 family protein	0.0024	0.0236	0.1151
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0734	0.1464
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0004	0	0.5
Loa Loa (eye worm)	PXA domain-containing protein	0.002	0.0193	0.0193
Giardia lamblia	Multidrug resistance-associated protein 1	0.0015	0.0132	1
Schistosoma mansoni	multidrug resistance protein	0.0015	0.0132	0.0263
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0044	0.0089
Entamoeba histolytica	hypothetical protein	0.002	0.0193	1
Brugia malayi	A-kinase anchor protein 10, precursor	0.002	0.0193	0.0943
Loa Loa (eye worm)	hypothetical protein	0.002	0.0193	0.0193
Brugia malayi	Regulator of G protein signaling domain containing protein	0.002	0.0193	0.0943
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.2052	0.409
Giardia lamblia	Multidrug resistance-associated protein 1	0.0015	0.0132	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0332	0.0661
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0004	0	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.002	0.0193	0.0385
Echinococcus multilocularis	cpg binding protein	0.0032	0.0332	0.0661
Schistosoma mansoni	carbonic anhydrase	0.0067	0.0734	0.1464
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0866	1	1
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0012	0.0093	0.0093
Echinococcus granulosus	beta-adrenergic receptor kinase	0.002	0.0193	0.0385
Echinococcus multilocularis	carbonic anhydrase II	0.0181	0.2052	0.409
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0734	0.1464
Echinococcus multilocularis	carbonic anhydrase	0.0067	0.0734	0.1464
Schistosoma mansoni	multidrug resistance protein	0.0015	0.0132	0.0263
Echinococcus granulosus	regulator of G protein signaling 3	0.002	0.0193	0.0385
Plasmodium falciparum	carbonic anhydrase	0.0067	0.0734	0.5
Schistosoma mansoni	hypothetical protein	0.0437	0.5018	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0015	0.0132	0.0643
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0015	0.0132	0.0643
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0131	0.0131
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0004	0	0.5
Trypanosoma cruzi	hypothetical protein	0.0012	0.0091	0.0445
Echinococcus granulosus	regulator of G protein signaling 7	0.002	0.0193	0.0385
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0015	0.0132	0.0643
Echinococcus granulosus	regulator of G protein signaling 7	0.002	0.0193	0.0385
Echinococcus multilocularis	axis inhibition protein axin	0.002	0.0193	0.0385
Echinococcus granulosus	regulator of G protein signaling 3	0.002	0.0193	0.0385
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0066	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0132	0.0132
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.002	0.0193	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0193	1
Trypanosoma brucei	p-glycoprotein	0.0015	0.0132	0.0643
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0004	0	0.5
Brugia malayi	ABC transporter transmembrane region family protein	0.0015	0.0132	0.0643
Brugia malayi	hypothetical protein	0.002	0.0193	0.0943
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0734	0.1464
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.002	0.0193	0.0385
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0193	1
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0193	0.0385
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0734	0.3579
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0004	0	0.5
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0067	0.0734	0.3579
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0004	0	0.5
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0004	0	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.002	0.0193	0.0193
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0193	0.0385
Loa Loa (eye worm)	hypothetical protein	0.002	0.0193	0.0193
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0629	0.0629
Echinococcus multilocularis	dnaJ subfamily B	0.0437	0.5018	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0734	0.1464
Loa Loa (eye worm)	hypothetical protein	0.002	0.0193	0.0193
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0193	0.0385
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0004	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0193	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0004	0	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0734	0.1464
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0066	0.0066
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0193	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.071	0.1415
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0067	0.0734	0.3579
Echinococcus granulosus	carbonic anhydrase	0.0067	0.0734	0.1464
Echinococcus multilocularis	regulator of G protein signaling 3	0.002	0.0193	0.0385
Toxoplasma gondii	hypothetical protein	0.0866	1	1
Loa Loa (eye worm)	hypothetical protein	0.0866	1	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.002	0.0193	0.0385
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0004	0	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0866	1	1
Echinococcus granulosus	expressed protein	0.0398	0.4575	0.9118
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0193	0.0385
Echinococcus granulosus	multidrug resistance associated protein 4	0.0012	0.0091	0.0182
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0004	0	0.5
Echinococcus multilocularis	expressed protein	0.0398	0.4575	0.9118
Brugia malayi	regulator of G-protein signaling rgs-7	0.002	0.0193	0.0943
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0015	0.0132	0.0643
Echinococcus granulosus	axis inhibition protein axin	0.002	0.0193	0.0385
Trypanosoma brucei	carbonic anhydrase-like protein	0.0181	0.2052	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0044	0.0089
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0067	0.0734	0.0734
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0004	0	0.5
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0044	0.0089
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0044	0.0089
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0312	0.0312
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0004	0	0.5
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0004	0	0.5
Echinococcus multilocularis	Regulator of G protein signaling 20	0.002	0.0193	0.0385
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0004	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0004	0	0.5
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0015	0.0132	0.0263
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0004	0	0.5
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.002	0.0193	0.0385
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0181	0.2052	0.409
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0066	0.0132
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.002	0.0193	0.0385
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0015	0.0132	0.0643
Echinococcus granulosus	cpg binding protein	0.0032	0.0332	0.0661
Loa Loa (eye worm)	hypothetical protein	0.002	0.0193	0.0193
Schistosoma mansoni	carbonic anhydrase-related	0.0067	0.0734	0.1464
Leishmania major	carbonic anhydrase-like protein	0.0181	0.2052	1
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0004	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0132	0.0132
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0004	0	0.5
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0181	0.2052	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 8.6 uM	Inhibitory constant against human Carbonic anhydrase I	ChEMBL.	15837323
Ki (binding)	= 8.6 uM	Inhibitory constant against human Carbonic anhydrase I	ChEMBL.	15837323
Ki (binding)	= 9.1 uM	Inhibitory constant against human Carbonic anhydrase II	ChEMBL.	15837323
Ki (binding)	= 9.1 uM	Inhibitory constant against human Carbonic anhydrase II	ChEMBL.	15837323
Ki (binding)	= 271 uM	Inhibitory constant against human Carbonic anhydrase IX	ChEMBL.	15837323
Ki (binding)	= 271 uM	Inhibitory constant against human Carbonic anhydrase IX	ChEMBL.	15837323

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: CHEMBL365326

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 337512