TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 441.906 | Formula: C22H17ClFN3O2S
H donors: 0 H acceptors: 3 LogP: 5.5 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CN(C(=O)c2scnc2C)c2cccc(c2)Cl)c2c(n1)c(F)ccc2
InChi: 1S/C22H17ClFN3O2S/c1-13-21(30-12-25-13)22(28)27(16-6-3-5-15(23)10-16)11-14-9-19(29-2)26-20-17(14)7-4-8-18(20)24/h3-10,12H,11H2,1-2H3
InChiKey: NKTNVSITVJLCCH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0034	0.0914	0.2048
Echinococcus granulosus	nervana 2	0.0023	0.0438	0.0438
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0042	0.1207	0.0459
Echinococcus granulosus	serine threonine protein kinase nrc	0.0023	0.0448	0.0448
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.3346
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1207	0.1207
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0042	0.1207	0.2743
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	AGC family protein kinase	0.0014	0.0091	0.0091
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0784	0.0784
Entamoeba histolytica	protein kinase, putative	0.0034	0.0914	0.909
Plasmodium vivax	phosphodiesterase gamma, putative	0.0042	0.1207	0.3346
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0031	0.0784	0.0784
Entamoeba histolytica	P-glyco protein 6, putative	0.0031	0.0784	0.7801
Schistosoma mansoni	multidrug resistance protein	0.0031	0.0784	0.0784
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0023	0.0438	0.0438
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0031	0.0784	0.0784
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0258	1	1
Echinococcus granulosus	nervana 2	0.0023	0.0438	0.0438
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.1207
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0784	0.1758
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0784	0.0784
Schistosoma mansoni	multidrug resistance protein	0.0031	0.0784	0.0784
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0122	0.4463	0.4463
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0784	0.0784
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0042	0.1207	0.1207
Entamoeba histolytica	protein kinase 2, putative	0.0023	0.0448	0.4453
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1207	0.0795
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.018	0.6806	0.6806
Trichomonas vaginalis	abcb9, putative	0.0031	0.0784	0.0784
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0784	0.0784
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.012	0.4401	0.4401
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0031	0.0784	0.5
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0023	0.0448	0.0448
Trichomonas vaginalis	conserved hypothetical protein	0.0217	0.8316	0.8316
Schistosoma mansoni	smdr2	0.0031	0.0784	0.0784
Echinococcus granulosus	Glutaredoxin protein 5	0.0023	0.0438	0.0438
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0042	0.1207	0.0224
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0042	0.1207	0.1207
Echinococcus multilocularis	rac serine:threonine kinase	0.0025	0.0539	0.0539
Loa Loa (eye worm)	hypothetical protein	0.012	0.4401	0.9861
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.012	0.4401	0.4401
Echinococcus multilocularis	multidrug resistance protein 1	0.0031	0.0784	0.0784
Plasmodium falciparum	phosphodiesterase delta, putative	0.0042	0.1207	0.3346
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0042	0.1207	0.1207
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0042	0.1207	0.1207
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.012	0.4401	0.4401
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0023	0.0448	0.0448
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.0224
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0784	0.0784
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0042	0.1207	0.1207
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.018	0.6806	0.6656
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0042	0.1207	0.1207
Plasmodium falciparum	multidrug resistance protein 1	0.0031	0.0784	0.1483
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0122	0.4463	0.4884
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0784	0.0784
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.1207
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.4401	0.4401
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0258	1	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0042	0.1207	0.1207
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0404	0.0404
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0784	0.0784
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0122	0.4463	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0031	0.0784	0.7801
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0037	0.1006	0.2253
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Entamoeba histolytica	protein kinase, putative	0.0037	0.1006	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.4401	0.4401
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.3346
Entamoeba histolytica	P-glycoprotein 5, putative	0.0031	0.0784	0.7801
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0258	1	1
Onchocerca volvulus		0.0031	0.0784	0.5
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Plasmodium vivax	multidrug resistance protein 1, putative	0.0031	0.0784	0.1483
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0258	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.012	0.4401	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0042	0.1207	0.1207
Mycobacterium ulcerans	putative regulatory protein	0.0079	0.2717	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.1207
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0042	0.1207	0.0795
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0042	0.1207	0.1207
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0784	0.0784
Trichomonas vaginalis	conserved hypothetical protein	0.0217	0.8316	0.8316
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0404	0.0404
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0042	0.1207	0.1207
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.3346
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0031	0.0771	0.0771
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Toxoplasma gondii	hypothetical protein	0.0079	0.2717	0.2566
Loa Loa (eye worm)	PDE1B protein	0.0042	0.1207	0.2705
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0784	0.0784
Trypanosoma cruzi	Protein kinase B	0.0025	0.0539	0.0096
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0079	0.2717	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0122	0.4463	0.4463
Echinococcus multilocularis	ATP binding cassette sub family B	0.0031	0.0771	0.0771
Brugia malayi	ABC transporter family protein	0.0031	0.0784	0.1782
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1207	0.2705
Toxoplasma gondii	GAF domain-containing protein	0.0079	0.2717	0.2566
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Echinococcus multilocularis	nervana 2	0.0023	0.0438	0.0438
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1207	0.0795
Echinococcus multilocularis	Glutaredoxin protein 5	0.0023	0.0438	0.0438
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0258	1	1
Plasmodium falciparum	GAF domain-related protein, putative	0.0079	0.2717	1
Trichomonas vaginalis	abcb9, putative	0.0031	0.0784	0.0784
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.008	0.2779	0.6228
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0539	0.5363
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Entamoeba histolytica	P-glycoprotein-2	0.0031	0.0784	0.7801
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0042	0.1207	0.3346
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0079	0.2717	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1207	0.0795
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.018	0.6806	0.6806
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0784	0.0784
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0784	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0079	0.2717	0.6089
Trichomonas vaginalis	taga, putative	0.0031	0.0784	0.0784
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0539	0.0539
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0784	0.0784
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0042	0.1207	0.0795
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.0404	0.0404
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0025	0.0539	0.5363
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0258	1	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.012	0.4401	0.4401
Toxoplasma gondii	AGC kinase	0.0034	0.0914	0.0172
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Trichomonas vaginalis	abcb9, putative	0.0031	0.0784	0.0784
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0042	0.1207	0.0795
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0042	0.1207	0.1207
Entamoeba histolytica	protein kinase, putative	0.0037	0.1006	1
Mycobacterium ulcerans	putative regulatory protein	0.0079	0.2717	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0042	0.1207	0.2743
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0042	0.1207	0.2743
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0042	0.1207	0.1207
Entamoeba histolytica	P-glycoprotein-1	0.0031	0.0784	0.7801
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0258	1	1
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0042	0.1207	0.1207
Loa Loa (eye worm)	multidrug resistance protein 3	0.0031	0.0784	0.1758
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Giardia lamblia	Hypothetical protein	0.0042	0.1207	0.1891
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0079	0.2717	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0023	0.0438	0.0438
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0122	0.4463	0.4463
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0042	0.1207	0.0459
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.2717	0.2717
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0042	0.1207	0.1207
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.0224
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0034	0.0914	0.2077
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0784	0.0784
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.008	0.2779	0.2779
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0258	1	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.012	0.4401	1
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.2717	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0042	0.1207	0.1207
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0122	0.4463	1
Brugia malayi	multidrug resistance protein 3	0.0031	0.0784	0.1782
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.2717	0.5
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.3346
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0042	0.1207	0.3346
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0042	0.1207	0.1207
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0025	0.0539	0.0096
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0042	0.1207	0.2705
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1207	0.0795
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0784	0.0784
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.1207	0.0224
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.008	0.2779	0.6315
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Echinococcus granulosus	serine/threonine protein kinase	0.0025	0.0539	0.0539
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0042	0.1207	0.3346
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0042	0.1207	0.1207
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1207	0.0795
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0784	0.0784
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Schistosoma mansoni	serine/threonine-protein kinase	0.0025	0.0539	0.0539
Echinococcus multilocularis	nervana 2	0.0023	0.0438	0.0438
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0042	0.1207	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1207	0.2705
Trichomonas vaginalis	conserved hypothetical protein	0.0217	0.8316	0.8316
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.1006	0.1006
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0042	0.1207	0.2743
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0771	0.1727
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0784	0.0784
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0404	0.0404
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0042	0.1207	0.0561
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0784	0.0784
Schistosoma mansoni	multidrug resistance protein	0.0031	0.0784	0.0784
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0784	0.0784
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0042	0.1207	0.1207
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0042	0.1207	0.0795
Entamoeba histolytica	P-glycoprotein-2	0.0031	0.0784	0.7801
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0784	0.1758
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1207	0.0795
Trichomonas vaginalis	conserved hypothetical protein	0.0258	1	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0042	0.1207	0.3346
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0042	0.1207	0.1207
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0784	0.0784
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0031	0.0784	0.0784
Entamoeba histolytica	P-glycoprotein-5	0.0031	0.0784	0.7801
Leishmania major	hypothetical protein, conserved	0.0042	0.1207	0.0459
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0258	1	1
Giardia lamblia	hypothetical protein	0.0042	0.1207	0.1891
Leishmania major	hypothetical protein, conserved	0.0042	0.1207	0.0459
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0042	0.1207	0.1207
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0122	0.4463	0.4463
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0784	0.0784
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1207	0.1207
Toxoplasma gondii	hypothetical protein	0.0217	0.8316	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.008	0.2779	0.2779
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0122	0.4463	0.4463
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0784	0.0784
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0042	0.1207	0.1207
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0784	0.0784
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0031	0.0784	0.1758
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0784	0.0784
Toxoplasma gondii	hypothetical protein	0.0079	0.2717	0.2566
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0258	1	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0258	1	1
Brugia malayi	Protein kinase domain containing protein	0.0037	0.1006	0.2285
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0042	0.1207	0.1207

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 100 uM	Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by transient transfection assay	ChEMBL.	19374401
Inhibition (binding)	< 50 %	Inhibition of human iNOS expressed in HEK293 cells assessed as NO production at 100 uM by transient transfection assay	ChEMBL.	19374401

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: CHEMBL492146

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 991229