TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 354.376 | Formula: C19H14O5S
H donors: 2 H acceptors: 4 LogP: 3.52 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cc(oc(=O)c1SCc1ccccc1)c1ccc(cc1)C(=O)O
InChi: 1S/C19H14O5S/c20-15-10-16(13-6-8-14(9-7-13)18(21)22)24-19(23)17(15)25-11-12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22)
InChiKey: JKXWJXGTKZBEDD-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
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 protease	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	Get druggable targets OG5_131408	All targets in OG5_131408

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Hypothetical protein	Human immunodeficiency virus type 1 protease	99 aa	86 aa	27.9 %
Echinococcus multilocularis	Chromobox protein 3	Human immunodeficiency virus type 1 protease	99 aa	95 aa	28.4 %
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	Human immunodeficiency virus type 1 protease	99 aa	80 aa	27.5 %
Entamoeba histolytica	retroviral aspartyl protease domain-containing protein	Human immunodeficiency virus type 1 protease	99 aa	103 aa	31.1 %
Entamoeba histolytica	retroviral aspartyl protease domain-containing protein	Human immunodeficiency virus type 1 protease	99 aa	103 aa	31.1 %
Candida albicans	dethiobiotin synthetase	Human immunodeficiency virus type 1 protease	99 aa	90 aa	22.2 %
Giardia lamblia	DNA-directed RNA polymerase subunit D	Human immunodeficiency virus type 1 protease	99 aa	90 aa	27.8 %
Candida albicans	dethiobiotin synthetase	Human immunodeficiency virus type 1 protease	99 aa	90 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0114	0.021
Toxoplasma gondii	GAF domain-containing protein	0.0023	0.0114	0.0967
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Schistosoma mansoni	glycogen phosphorylase	0.0105	0.0608	0.0643
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0263	0.0267
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0009	0.0027	0.0009
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0009	0.0027	0.0025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0263	0.0267
Echinococcus multilocularis	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0072	0.0409	0.0392
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0169	0.03
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0263	0.0245
Giardia lamblia	Deoxynucleoside kinase	0.0072	0.0409	0.0811
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Loa Loa (eye worm)	histone methyltransferase	0.001	0.003	0.018
Echinococcus granulosus	Glycosyl transferase family 35	0.0105	0.0608	0.1763
Entamoeba histolytica	glycogen phosphorylase, putative	0.0105	0.0608	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0027	0.0163
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0409	0.0835
Entamoeba histolytica	hypothetical protein	0.0158	0.0927	0.1511
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0033	0.0169	0.0983
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0022	0.0004
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0158	0.0927	0.1511
Entamoeba histolytica	hypothetical protein	0.0055	0.0304	0.0125
Schistosoma mansoni	NADH-ubiquinone oxidoreductase	0.0072	0.0409	0.0426
Schistosoma mansoni	Smad4	0.0008	0.0022	0.0004
Brugia malayi	dUTP diphosphatase	0.0158	0.0927	0.54
Giardia lamblia	Thymidine kinase	0.079	0.4741	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Entamoeba histolytica	thymidine kinase, putative	0.079	0.4741	1
Schistosoma mansoni	glycogen phosphorylase	0.0105	0.0608	0.0643
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0158	0.0927	1
Echinococcus granulosus	smad	0.0008	0.0022	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0409	0.0835
Giardia lamblia	Deoxyguanosine kinase/deoxyadenosine kinase subunit, putative	0.0072	0.0409	0.0811
Mycobacterium ulcerans	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0055	0.0304	1
Giardia lamblia	Glycogen phosphorylase	0.0105	0.0608	0.1233
Echinococcus granulosus	dUTP pyrophosphatase	0.0158	0.0927	0.2715
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0022	0.0004
Entamoeba histolytica	deoxycytidine triphosphate deaminase, putative	0.0055	0.0304	0.0125
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0009	0.0027	0.0025
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0169	0.03
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0231	0.1364	0.2484
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.0169	0.0326
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Schistosoma mansoni	cpg binding protein	0.0033	0.0169	0.0164
Trypanosoma brucei	thymidine kinase	0.079	0.4741	1
Mycobacterium ulcerans	deoxycytidine triphosphate deaminase	0.0055	0.0304	1
Brugia malayi	MH2 domain containing protein	0.0121	0.0704	0.4105
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.0704	0.424
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0027	0.0026
Loa Loa (eye worm)	Smad1	0.0008	0.0022	0.0134
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0033	0.0169	0.0164
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0158	0.0927	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Toxoplasma gondii	hypothetical protein	0.0023	0.0114	0.0967
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0289	0.1716	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0022	0.0134
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0278	0.1648	0.1777
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0009	0.0027	0.0158
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0409	0.0835
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0105	0.0608	0.0591
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0158	0.0927	0.1511
Leishmania major	thymidine kinase, putative	0.079	0.4741	1
Echinococcus granulosus	NADH ubiquinone oxidoreductase 42 kDa subunit	0.0072	0.0409	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0027	0.0163
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0263	0.0245
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0289	0.1716	0.5075
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0562	0.3363	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0009	0.0027	0.0026
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0105	0.0608	0.1256
Trichomonas vaginalis	thymidine kinase, putative	0.079	0.4741	1
Echinococcus granulosus	Smad4	0.0008	0.0022	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0114	0.021
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0033	0.0169	0.03
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.0158	0.0927	0.5
Brugia malayi	Deoxynucleoside kinase family protein	0.0072	0.0409	0.2386
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Echinococcus granulosus	glycogen phosphorylase	0.0105	0.0608	0.1763
Trypanosoma cruzi	thymidine kinase, putative	0.079	0.4741	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0461	0.2751	0.2737
Echinococcus granulosus	thymidine kinase	0.0562	0.3363	1
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0114	0.021
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0009	0.0027	0.0026
Brugia malayi	MH1 domain containing protein	0.0008	0.0022	0.013
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.0367	0.038
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0033	0.0169	0.0449
Trichomonas vaginalis	conserved hypothetical protein	0.0009	0.0027	0.0026
Echinococcus multilocularis	Smad4	0.0008	0.0022	0.0004
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0009	0.0027	0.0158
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0105	0.0608	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0169	0.03
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0158	0.0927	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Schistosoma mansoni	thymidine kinase	0.0562	0.3363	0.3646
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0009	0.0027	0.0158
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.0055	0.0304	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0022	0.0004
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.0158	0.0927	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0231	0.1364	0.2484
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0169	0.1016
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0263	0.0731
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	smad	0.0008	0.0022	0.0004
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0009	0.0027	0.0008
Echinococcus multilocularis	neuropeptide s receptor	0.0461	0.2751	0.2737
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.1528	0.919	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Brugia malayi	Smad1	0.0008	0.0022	0.013
Echinococcus multilocularis	dUTP pyrophosphatase	0.0158	0.0927	0.091
Echinococcus granulosus	neuropeptide s receptor	0.0461	0.2751	0.817
Brugia malayi	MH2 domain containing protein	0.0008	0.0022	0.013
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0009	0.0027	0.0008
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0022	0.0004
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0263	0.1534
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0158	0.0927	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0033	0.0169	0.015
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.003	0.0034
Entamoeba histolytica	hypothetical protein	0.0158	0.0927	0.1511
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0022	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0409	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1519	0.9147
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0009	0.0027	0.0158
Brugia malayi	MH2 domain containing protein	0.0008	0.0022	0.013
Loa Loa (eye worm)	PDE1B protein	0.0009	0.0027	0.0163
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0263	0.0267
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0022	0.0134
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Loa Loa (eye worm)	deoxynucleoside kinase	0.0072	0.0409	0.2465
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0105	0.0608	0.1256
Echinococcus multilocularis	glycogen phosphorylase	0.0105	0.0608	0.0591
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0009	0.0027	0.0026
Brugia malayi	MH1 domain containing protein	0.0008	0.0022	0.013
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0046	0.0247	0.7027
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0033	0.0169	0.03
Toxoplasma gondii	hypothetical protein	0.0023	0.0114	0.0967
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0009	0.0027	0.0008
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Giardia lamblia	Hypothetical protein	0.0072	0.0409	0.0811
Loa Loa (eye worm)	glycogen phosphorylase	0.0105	0.0608	0.3661
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	glycogen phosphorylase	0.0105	0.0608	0.0591
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus granulosus	cpg binding protein	0.0033	0.0169	0.045
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0169	0.0326
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0231	0.1364	0.2484
Schistosoma mansoni	smad	0.0008	0.0022	0.0004
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0009	0.0027	0.0026
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0046	0.0247	0.7027
Echinococcus multilocularis	thymidine kinase	0.0562	0.3363	0.335
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Entamoeba histolytica	hypothetical protein	0.0176	0.1032	0.1747
Schistosoma mansoni	cpg binding protein	0.0031	0.0158	0.0152
Loa Loa (eye worm)	dUTP diphosphatase	0.0158	0.0927	0.5578
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0009	0.0027	0.0008
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0158	0.0927	0.099
Trichomonas vaginalis	thymidine kinase, putative	0.079	0.4741	1
Echinococcus granulosus	neuropeptide receptor A26	0.0461	0.2751	0.817
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0009	0.0027	0.0026
Giardia lamblia	Hypothetical protein	0.0072	0.0409	0.0811
Entamoeba histolytica	glycogen phosphorylase, putative	0.0105	0.0608	0.0803
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0263	0.1585
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, putative	0.0055	0.0304	0.0125
Trichomonas vaginalis	thymidine kinase, putative	0.079	0.4741	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.003	0.0011
Brugia malayi	carbohydrate phosphorylase	0.0105	0.0608	0.3545
Plasmodium vivax	hypothetical protein, conserved	0.0023	0.0114	0.0967
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Chlamydia trachomatis	glycogen phosphorylase	0.0105	0.0608	0.4889
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0009	0.0027	0.0009
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0158	0.0927	0.1929
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0009	0.0027	0.0025
Toxoplasma gondii	hypothetical protein	0.0023	0.0114	0.0967
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0009	0.0027	0.0009
Echinococcus multilocularis	transfer RNA-Ile	0.0562	0.3363	0.335
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0009	0.0027	0.0163
Plasmodium falciparum	GAF domain-related protein, putative	0.0023	0.0114	0.0967
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0009	0.0027	0.0025
Echinococcus granulosus	thymidine kinase	0.0562	0.3363	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0169	0.0164
Echinococcus granulosus	glycogen phosphorylase	0.0105	0.0608	0.1763
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0009	0.0027	0.0026
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.0704	0.424
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0027	0.0163
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0029	0.017
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0169	0.0326
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.0409	0.0835
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0022	0.0011
Trypanosoma cruzi	thymidine kinase, putative	0.079	0.4741	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.1661	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0009	0.0027	0.0008
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0022	0.0011
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0033	0.0169	0.0164
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0289	0.1716	0.17
Echinococcus multilocularis	thymidine kinase	0.0562	0.3363	0.335
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0231	0.1364	0.2484
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0009	0.0027	0.0025
Entamoeba histolytica	hypothetical protein	0.0072	0.0409	0.0361
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0263	0.0731
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0158	0.0923
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0022	0.0004
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0009	0.0027	0.0008
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0009	0.0027	0.0025
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0158	0.0954
Echinococcus multilocularis	cpg binding protein	0.0033	0.0169	0.0151
Entamoeba histolytica	hypothetical protein	0.0176	0.1032	0.1747
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.0325	0.331
Schistosoma mansoni	glycogen phosphorylase	0.0046	0.0247	0.0249
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.0055	0.0304	1
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0114	0.021

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.36 uM	In vitro inhibitory activity against HIV-1 protease(PR).	ChEMBL.	No reference
IC50 (binding)	= 0.36 uM	In vitro inhibitory activity against HIV-1 protease(PR).	ChEMBL.	No reference

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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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Detailed information for compound 14312