TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 364.414 | Formula: C21H16O4S
H donors: 2 H acceptors: 4 LogP: 5.42 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2c(c1O)cc1c(c2)cccc1
InChi: 1S/C21H16O4S/c1-13-6-8-16(9-7-13)26(24,25)20-12-19(22)17-10-14-4-2-3-5-15(14)11-18(17)21(20)23/h2-12,22-23H,1H3
InChiKey: DKOISANXNBXJMG-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
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	Starlite/ChEMBL	References
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	Get druggable targets OG5_129509	All targets in OG5_129509
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	Get druggable targets OG5_129509	All targets in OG5_129509
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	Get druggable targets OG5_129509	All targets in OG5_129509
Plasmodium berghei	apicoplast beta-ketoacyl-acyl carrier protein synthase III precursor, putative	Get druggable targets OG5_129509	All targets in OG5_129509
Chlamydia trachomatis	oxoacyl-ACP synthase III	Get druggable targets OG5_129509	All targets in OG5_129509
Plasmodium knowlesi	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	Get druggable targets OG5_129509	All targets in OG5_129509
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	Get druggable targets OG5_129509	All targets in OG5_129509
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	Get druggable targets OG5_129509	All targets in OG5_129509
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	Get druggable targets OG5_129509	All targets in OG5_129509
Neospora caninum	3-oxoacyl-(acyl-carrier-protein) synthase III family protein, putative	Get druggable targets OG5_129509	All targets in OG5_129509
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	Get druggable targets OG5_129509	All targets in OG5_129509

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Chalcone synthase Pks11	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	335 aa	294 aa	25.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.1025	1
Entamoeba histolytica	fatty acid elongase, putative	0.01	0.0817	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.012	0.1025	0.1171
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0272	0.0272
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0185	0.1807
Trypanosoma brucei	trypanothione reductase	0.0047	0.0272	0.2652
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0862	0.8756	0.8756
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0766	0.7755	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0299	0.0341
Entamoeba histolytica	fatty acid elongase, putative	0.01	0.0817	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0135	0.0154
Leishmania major	hypothetical protein, conserved	0.012	0.1025	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0022	0.0217
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.012	0.1025	1
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0185	0.0185
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0163	0.0163
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.09	0.0944
Plasmodium falciparum	phosphodiesterase gamma, putative	0.012	0.1025	0.1322
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0022	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0185	0.0185
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.1238	0.1238
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	0.1322
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0185	0.1807
Brugia malayi	PHD-finger family protein	0.003	0.0097	0.0111
Plasmodium vivax	ataxin-2 like protein, putative	0.0076	0.0569	0.0734
Echinococcus multilocularis	transcription factor eb	0.0108	0.0901	0.0901
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0982	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0076	0.0569	0.5552
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.1025	0.1109
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0078	0.0078
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0185	0.0185
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.012	0.1025	0.1025
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0185	0.0185
Entamoeba histolytica	hypothetical protein	0.0036	0.0155	0.1893
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.012	0.1025	0.1322
Loa Loa (eye worm)	PDE1B protein	0.012	0.1025	0.1025
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0163	0.0163
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0766	0.7755	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0862	0.8756	0.8756
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.012	0.1025	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.012	0.1025	0.1025
Brugia malayi	Importin beta-1 subunit	0.0029	0.0078	0.0089
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.1025	0.1109
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Trypanosoma brucei	hypothetical protein, conserved	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0982	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.1025	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0076	0.0569	0.0734
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0982	1	1
Echinococcus granulosus	transcription factor eb	0.0108	0.0901	0.0901
Echinococcus granulosus	snurportin 1	0.0304	0.2949	0.2949
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0155	0.0155
Leishmania major	cAMP-specific phosphodiesterase, putative	0.012	0.1025	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0299	0.0299
Brugia malayi	Thioredoxin reductase	0.0047	0.0272	0.0311
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0299	0.0299
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.1025	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0569	0.0569
Plasmodium falciparum	glutathione reductase	0.0047	0.0272	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0322	0.0322
Toxoplasma gondii	LsmAD domain-containing protein	0.0076	0.0569	0.0569
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0766	0.7755	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1349	0.1349
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0862	0.8756	0.8756
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0099	0.0814	0.0814
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.1238	0.1238
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.012	0.1025	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0022	0.0217
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Giardia lamblia	hypothetical protein	0.012	0.1025	0.1025
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0155	0.1893
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.0569	0.5552
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0982	1	1
Plasmodium vivax	phosphodiesterase gamma, putative	0.012	0.1025	0.1322
Entamoeba histolytica	fatty acid elongase, putative	0.01	0.0817	1
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.022	0.022
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.09	0.0944
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.1025	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0078	0.0764
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0097	0.0097
Schistosoma mansoni	hypothetical protein	0.003	0.0097	0.0097
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.1025	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0076	0.0569	0.5552
Schistosoma mansoni	hypothetical protein	0.0034	0.0135	0.0135
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0185	0.0185
Entamoeba histolytica	hypothetical protein	0.0036	0.0155	0.1893
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0185	0.1807
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.012	0.1025	0.1171
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.012	0.1025	0.1025
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0248	0.236	0.2874
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Brugia malayi	beta-lactamase family protein	0.0039	0.0185	0.0212
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	0.1322
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.09	0.0944
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0272	0.0272
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0272	0.0115
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Leishmania major	trypanothione reductase	0.0047	0.0272	0.2652
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0272	0.2652
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.012	0.1025	0.1025
Brugia malayi	hypothetical protein	0.0151	0.1349	0.154
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	0.1322
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0185	0.1807
Onchocerca volvulus		0.0151	0.1349	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0185	0.1807
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.1025	1
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0766	0.7755	1
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.012	0.1025	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0099	0.0814	0.0814
Toxoplasma gondii	ABC1 family protein	0.0039	0.0185	0.0185
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.1025	1
Plasmodium falciparum	phosphodiesterase delta, putative	0.012	0.1025	0.1322
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.012	0.1025	0.1171
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.012	0.1025	0.1025
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.1238	0.1238
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	0.1322
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	0.1322
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0185	0.1807
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0155	0.0155
Echinococcus granulosus	peregrin	0.003	0.0097	0.0097
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.012	0.1025	0.1171
Mycobacterium tuberculosis	Probable reductase	0.0107	0.09	0.0944
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0766	0.7755	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.012	0.1025	1
Schistosoma mansoni	jumonji domain containing protein	0.0079	0.0602	0.0602
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0097	0.0097
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0155	0.0155
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Plasmodium falciparum	importin beta, putative	0.0029	0.0078	0.0101
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Leishmania major	hypothetical protein, conserved	0.012	0.1025	1
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.012	0.1025	0.1025
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.014	0.1238	0.1238
Echinococcus multilocularis	peregrin	0.003	0.0097	0.0097
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0097	0.0125
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0107	0.09	0.8514
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0185	0.0185
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0078	0.0101
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0185	0.0185
Brugia malayi	beta-lactamase	0.0039	0.0185	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0185	0.0185
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.012	0.1025	0.1025
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0766	0.7755	1
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0272	0.0351
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Brugia malayi	Bromodomain containing protein	0.003	0.0097	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0135	0.0135
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0272	0.0272
Brugia malayi	jmjC domain containing protein	0.0099	0.0814	0.0929
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.012	0.1025	0.1025
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.012	0.1025	1
Leishmania major	hypothetical protein, conserved	0.0076	0.0569	0.5552
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Brugia malayi	hypothetical protein	0.0076	0.0569	0.065
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0022	0.0217
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0185	0.0185
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.1025	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0097	0.0097
Echinococcus multilocularis	snurportin 1	0.0304	0.2949	0.2949
Brugia malayi	beta-lactamase family protein	0.0039	0.0185	0.0212
Schistosoma mansoni	importin beta-1	0.0029	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0185	0.0185
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0982	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0155	0.0155
Brugia malayi	glutathione reductase	0.0047	0.0272	0.0311
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0097	0.0097
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.012	0.1025	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0078	0.0078
Brugia malayi	RNA, U transporter 1	0.0081	0.0625	0.0714
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0185	0.0212
Entamoeba histolytica	hypothetical protein	0.0036	0.0155	0.1893
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.012	0.1025	0.1025
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.012	0.1025	0.1171
Schistosoma mansoni	hypothetical protein	0.0304	0.2949	0.2949
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0896	0.0896
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.012	0.1025	0.1322
Onchocerca volvulus		0.0039	0.0185	0.0707
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.022	0.022
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0272	0.0351
Entamoeba histolytica	fatty acid elongase, putative	0.01	0.0817	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Entamoeba histolytica	hypothetical protein	0.0023	0.0022	0.0272
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0076	0.0569	0.0734
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.1238	0.1238
Loa Loa (eye worm)	hypothetical protein	0.003	0.0097	0.0097
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0097	0.0097
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.012	0.1025	0.1025
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0272	0.0272
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0185	0.1807
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0135	0.0135
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0078	0.0764
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.012	0.1025	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0862	0.8756	1
Entamoeba histolytica	fatty acid elongase, putative	0.01	0.0817	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.09	0.0944
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.2949	0.2949
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.1025	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.1238	0.1238
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.012	0.1025	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.012	0.1025	0.1025
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0163	0.0163
Brugia malayi	jmjC domain containing protein	0.0037	0.0163	0.0186
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0078	0.0078
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0766	0.7755	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.012	0.1025	0.1171
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0272	0.0351
Loa Loa (eye worm)	hypothetical protein	0.012	0.1025	0.1025
Trypanosoma cruzi	hypothetical protein, conserved	0.012	0.1025	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.012	0.1025	0.1025
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0163	0.0163
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.1238	0.1238
Loa Loa (eye worm)	hypothetical protein	0.012	0.1025	0.1025
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0097	0.0097
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0034	0.0135	0.0135
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.09	0.0944
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0185	0.0239
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.012	0.1025	0.1025
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.012	0.1025	1
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0107	0.0896	0.0896
Giardia lamblia	PHD finger protein 15	0.003	0.0097	0.0097
Giardia lamblia	Hypothetical protein	0.012	0.1025	0.1025
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.012	0.1025	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.012	0.1025	0.1025
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0022	0.0217
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.012	0.1025	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.0432	0.0432
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0982	1	1
Trichomonas vaginalis	esterase, putative	0.0039	0.0185	0.1807
Onchocerca volvulus		0.0039	0.0185	0.0707
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0299	0.0341
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Leishmania major	hypothetical protein, conserved	0.0039	0.0185	0.1807
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0163	0.0163
Plasmodium falciparum	phd finger protein, putative	0.003	0.0097	0.0125
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0185	0.1807
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.1025	0.1025
Brugia malayi	hypothetical protein	0.0049	0.029	0.0331
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.014	0.1238	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.012	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0982	1	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.012	0.1025	1
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.012	0.1025	0.1025
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0185	0.0185
Onchocerca volvulus		0.0039	0.0185	0.0707
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0078	0.0078
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0108	0.0901	0.1029
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.012	0.1025	0.1025
Brugia malayi	hypothetical protein	0.0036	0.0155	0.0177
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.012	0.1025	0.1025
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.1025	0.1109
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0034	0.0135	0.0135
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.1238	0.1238
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0766	0.7755	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8.47 nM	Inhibition of Mycobacterium tuberculosis FabH	ChEMBL.	18996691
IC50 (binding)	= 341.1 nM	Inhibition of Plasmodium falciparum FabH	ChEMBL.	18996691

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: CHEMBL451059

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 955013