TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 474.371 | Formula: C21H20BrN3O3S
H donors: 1 H acceptors: 2 LogP: 4.71 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)ccc(c1Br)/C=N/NC(=O)CSc1cc(C)nc2c1cccc2
InChi: 1S/C21H20BrN3O3S/c1-13-10-18(15-6-4-5-7-16(15)24-13)29-12-19(26)25-23-11-14-8-9-17(27-2)21(28-3)20(14)22/h4-11H,12H2,1-3H3,(H,25,26)/b23-11+
InChiKey: RIPYYIAPKSYZQN-FOKLQQMPSA-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
Mus musculus	phosphodiesterase 10A	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	Get druggable targets OG5_135363	All targets in OG5_135363
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	Get druggable targets OG5_135363	All targets in OG5_135363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135363	All targets in OG5_135363
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135363	All targets in OG5_135363
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	Get druggable targets OG5_135363	All targets in OG5_135363

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	phosphodiesterase 10A	850 aa	688 aa	29.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	GAF domain-containing protein	0.0023	0.0075	0.0121
Echinococcus granulosus	chromobox protein 1	0.0073	0.1067	0.1067
Echinococcus multilocularis	carbonic anhydrase	0.0111	0.1822	0.1822
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.003	0.0205	0.0372
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.0256	0.0464
Brugia malayi	phosphofructokinase	0.0111	0.1827	0.3277
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0075	0.0135
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.1077	0.1122
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.1077	0.1122
Schistosoma mansoni	6-phosphofructokinase	0.0111	0.1827	0.1827
Echinococcus multilocularis	carboxylesterase 5A	0.0071	0.1027	0.1027
Echinococcus multilocularis	muscleblind protein 1	0.0151	0.2626	0.2626
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0185	0.0336
Entamoeba histolytica	phosphofructokinase, putative	0.0111	0.1827	0.3312
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Schistosoma mansoni	6-phosphofructokinase	0.0111	0.1827	0.1827
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.09	0.1614
Loa Loa (eye worm)	phosphofructokinase	0.0111	0.1827	0.3277
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0185	0.0336
Toxoplasma gondii	6-phosphofructokinase	0.003	0.0205	0.0334
Echinococcus granulosus	carboxylesterase 5A	0.0071	0.1027	0.1027
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0099	0.158	0.158
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0111	0.1827	0.3053
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0111	0.1822	0.3268
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0046	0.0524	0.074
Schistosoma mansoni	carbonic anhydrase	0.0111	0.1822	0.1822
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.1077	0.1932
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1027	0.1842
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.1077	0.1932
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0677	0.1228
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0424	0.1098
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Mycobacterium ulcerans	thymidylate synthase	0.0113	0.1859	0.2935
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.1077	0.1077
Entamoeba histolytica	phosphofructokinase, putative	0.0111	0.1827	0.3312
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0205	0.0372
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0289	0.5385	0.5385
Brugia malayi	thymidylate synthase	0.0113	0.1859	0.3335
Echinococcus granulosus	poly adp ribose polymerase 2	0.0099	0.158	0.158
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0487	0.0882
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.00000000017988	0.0000000002923
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0076	0.1124	0.2017
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1077	0.1952
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.1077	0.1122
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0378	0.0378
Brugia malayi	WGR domain containing protein	0.0099	0.158	0.2835
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0298	0.5574	1
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0075	0.0135
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.1067	0.1934
Brugia malayi	Carboxylesterase family protein	0.0071	0.1027	0.1842
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0298	0.5574	1
Mycobacterium leprae	Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1)	0.0327	0.6154	1
Brugia malayi	Carboxylesterase family protein	0.0071	0.1027	0.1842
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.09	0.1614
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.094	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2626	0.4711
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1077	0.1932
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0054	0.0677	0.1215
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0295	0.5516	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0111	0.1822	0.3268
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.038	0.0681
Brugia malayi	Ets-domain containing protein	0.0076	0.1124	0.2017
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0113	0.1859	0.1859
Echinococcus multilocularis	muscleblind protein	0.0151	0.2626	0.2626
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.006	0.0802	0.1438
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0033	0.0256	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0383	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4734	0.8492
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0205	0.0372
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0256	0.0459
Echinococcus multilocularis	6 phosphofructokinase	0.0111	0.1827	0.1827
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Echinococcus granulosus	carbonic anhydrase	0.0111	0.1822	0.1822
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1077	0.1952
Trichomonas vaginalis	6-phosphofructokinase, putative	0.003	0.0205	0.0372
Loa Loa (eye worm)	6-phosphofructokinase	0.0111	0.1827	0.3277
Mycobacterium leprae	Probable 5-methyltetrahydrofolate--homocystein methyltransferase MetH (Methionine synthase, vitamin-B12 dependent isozyme) (MS)	0.0121	0.2018	0.3196
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.094	0.1686
Echinococcus granulosus	carbonic anhydrase II	0.0298	0.5574	0.5574
Leishmania major	hypothetical protein, conserved	0.0074	0.1077	0.1932
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.038	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1077	0.1932
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.2778	0.4984
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0144	0.2492	0.2706
Toxoplasma gondii	exonuclease III APE	0.0039	0.038	0.0617
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0113	0.1859	0.1997
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0033	0.0256	0.0459
Loa Loa (eye worm)	hypothetical protein	0.028	0.5204	0.9335
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.4464	0.8007
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0298	0.5574	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.094	0.094
Brugia malayi	Ets-domain containing protein	0.0076	0.1124	0.2017
Echinococcus granulosus	WGR domain containing protein	0.0039	0.0383	0.0383
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Mycobacterium ulcerans	dihydropteroate synthase 1 FolP1	0.0327	0.6154	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.09	0.09
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0046	0.0524	0.0503
Schistosoma mansoni	gabp alpha	0.0076	0.1124	0.1124
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0099	0.158	0.158
Mycobacterium leprae	PROBABLE DIHYDROPTEROATE SYNTHASE 2 FOLP2 (DHPS 2) (Dihydropteroate pyrophosphorylase 2)	0.0121	0.2018	0.3196
Mycobacterium tuberculosis	Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2)	0.0121	0.2018	0.2175
Echinococcus granulosus	muscleblind protein	0.0151	0.2626	0.2626
Brugia malayi	TAR-binding protein	0.0065	0.09	0.1614
Loa Loa (eye worm)	dihydrofolate reductase	0.0046	0.0524	0.094
Echinococcus multilocularis	carbonic anhydrase	0.0111	0.1822	0.1822
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.038	0.0689
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0424	0.0769
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0904	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1077	0.1932
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1822	0.3268
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.1077	0.1649
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0205	0.0334
Loa Loa (eye worm)	fli-1 protein	0.0231	0.4217	0.7565
Chlamydia trachomatis	bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase	0.0327	0.6154	1
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0289	0.5385	0.5385
Schistosoma mansoni	hypothetical protein	0.0111	0.1822	0.1822
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.09	0.09
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0205	0.0372
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1077	0.1122
Giardia lamblia	Fructose-bisphosphate aldolase	0.0295	0.5516	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Schistosoma mansoni	hypothetical protein	0.052	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Schistosoma mansoni	ets-related	0.0231	0.4217	0.4217
Schistosoma mansoni	hypothetical protein	0.052	1	1
Brugia malayi	Dihydrofolate reductase	0.0046	0.0524	0.094
Plasmodium vivax	hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative	0.0327	0.6154	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.047	0.9008	1
Mycobacterium ulcerans	dihydropteroate synthase 2 FolP2	0.0121	0.2018	0.3196
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.038	0.038
Echinococcus granulosus	acetylcholinesterase	0.0071	0.1027	0.1027
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.038	0.0502
Brugia malayi	WGR domain containing protein	0.0099	0.158	0.2835
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Mycobacterium tuberculosis	Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1)	0.0327	0.6154	0.6805
Echinococcus multilocularis	carbonic anhydrase	0.0111	0.1822	0.1822
Chlamydia trachomatis	dihydrofolate reductase	0.0046	0.0524	0.0536
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.003	0.0205	0.0372
Brugia malayi	dihydrofolate reductase family protein	0.0046	0.0524	0.094
Loa Loa (eye worm)	carbonic anhydrase 3	0.0298	0.5574	1
Brugia malayi	beta-lactamase	0.0074	0.1077	0.1932
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Echinococcus multilocularis	dihydrofolate reductase	0.0046	0.0524	0.0524
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.09	0.1614
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0075	0.0135
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0424	0.0769
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.1067	0.1934
Echinococcus multilocularis	chromobox protein 1	0.0073	0.1067	0.1067
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.038	0.0502
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.038	0.038
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.038	0.0681
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0099	0.158	0.2835
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1077	0.1932
Brugia malayi	6-phosphofructokinase	0.0111	0.1827	0.3277
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0033	0.0256	0.0256
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.094	0.1686
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0111	0.1827	0.2882
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.1077	0.1932
Brugia malayi	chromobox protein homolog 3	0.0041	0.0424	0.0761
Echinococcus granulosus	6 phosphofructokinase	0.0111	0.1827	0.1827
Toxoplasma gondii	hypothetical protein	0.0023	0.0075	0.0121
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.038	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0295	0.5516	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1077	0.1932
Mycobacterium tuberculosis	Hypothetical protein	0.0054	0.0677	0.0675
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0111	0.1822	0.3268
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1077	0.1952
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.038	0.0681
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0099	0.158	0.2835
Toxoplasma gondii	dihydropteroate synthase	0.0327	0.6154	1
Mycobacterium ulcerans	hypothetical protein	0.0074	0.1077	0.1649
Brugia malayi	hypothetical protein	0.0054	0.0677	0.1215
Trichomonas vaginalis	phosphofructokinase, putative	0.0111	0.1827	0.3312
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0289	0.5385	0.966
Loa Loa (eye worm)	hypothetical protein	0.0099	0.158	0.2835
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.1077	0.1932
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.1077	0.1122
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0033	0.0256	0.0256
Trichomonas vaginalis	phosphofructokinase, putative	0.0111	0.1827	0.3312
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.038	0.0329
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0205	0.0372
Brugia malayi	beta-lactamase family protein	0.0074	0.1077	0.1932
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1077	0.1077
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0099	0.158	0.2865
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0298	0.5574	1
Onchocerca volvulus		0.0074	0.1077	0.5147
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.4464	0.8007
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0111	0.1827	0.3312
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Trypanosoma brucei	carbonic anhydrase-like protein	0.0298	0.5574	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0111	0.1827	0.3277
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0111	0.1827	0.3277
Schistosoma mansoni	chromobox protein	0.0073	0.1067	0.1067
Loa Loa (eye worm)	beta-lactamase	0.0074	0.1077	0.1932
Leishmania major	carbonic anhydrase-like protein	0.0298	0.5574	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0144	0.2492	0.3977
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0424	0.0761
Trichomonas vaginalis	phosphofructokinase, putative	0.0111	0.1827	0.3312
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.1077	0.1122
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0075	0.0135
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0046	0.0524	0.074
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.1077	0.1952
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.1077	0.1122
Loa Loa (eye worm)	carboxylesterase	0.0071	0.1027	0.1842
Schistosoma mansoni	ap endonuclease	0.0039	0.038	0.038
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0033	0.0256	0.0256
Brugia malayi	Muscleblind-like protein	0.0151	0.2626	0.4711
Mycobacterium ulcerans	lipase LipD	0.0074	0.1077	0.1649
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.1077	0.1077
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.038	0.0681
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0256	0.0464
Echinococcus multilocularis	GA binding protein alpha chain	0.0076	0.1124	0.1124
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.094	0.1686
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0111	0.1827	0.1961
Echinococcus granulosus	carbonic anhydrase	0.0111	0.1822	0.1822
Schistosoma mansoni	dihydrofolate reductase	0.0046	0.0524	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0151	0.2626	0.4711
Trichomonas vaginalis	esterase, putative	0.0074	0.1077	0.1952
Echinococcus granulosus	dihydrofolate reductase	0.0046	0.0524	0.0524
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0205	0.0215
Onchocerca volvulus		0.0113	0.1859	1
Brugia malayi	6-phosphofructokinase	0.0111	0.1827	0.3277
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.2778	0.4984
Plasmodium falciparum	carbonic anhydrase	0.0111	0.1822	0.296
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0256	0.0459
Treponema pallidum	fructose-bisphosphate aldolase	0.0295	0.5516	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0071	0.1027	0.1027
Onchocerca volvulus		0.0074	0.1077	0.5147
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.09	0.09
Mycobacterium ulcerans	6-phosphofructokinase	0.0111	0.1827	0.2882
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0378	0.0378
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0205	0.0334
Leishmania major	ATP-dependent phosphofructokinase	0.0111	0.1827	0.3277
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1077	0.1122
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0205	0.0215
Toxoplasma gondii	hypothetical protein	0.0111	0.1822	0.296
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.094	0.1686
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.094	0.094
Toxoplasma gondii	ABC1 family protein	0.0074	0.1077	0.175
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.2778	0.4447
Schistosoma mansoni	chromobox protein	0.0073	0.1067	0.1067
Loa Loa (eye worm)	acetylcholinesterase 1	0.0071	0.1027	0.1842
Loa Loa (eye worm)	heterochromatin protein 1	0.0073	0.1067	0.1913
Echinococcus granulosus	thymidylate synthase	0.0113	0.1859	0.1859
Echinococcus granulosus	GA binding protein alpha chain	0.0076	0.1124	0.1124
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0205	0.0372
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.1077	0.1952
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.09	0.09
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0039	0.0383	0.0383
Echinococcus multilocularis	carbonic anhydrase II	0.0298	0.5574	0.5574
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.2778	0.4515
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0113	0.1859	0.2935
Toxoplasma gondii	hypothetical protein	0.0023	0.0075	0.0121
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0487	0.1484
Echinococcus multilocularis	geminin	0.052	1	1
Brugia malayi	beta-lactamase family protein	0.0074	0.1077	0.1932
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.038	0.0342
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.094	0.1704
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0256	0.0459
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0298	0.5574	0.5574
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0099	0.158	0.158
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0099	0.158	0.2835
Mycobacterium ulcerans	beta-lactamase	0.0074	0.1077	0.1649
Schistosoma mansoni	ap endonuclease	0.0039	0.038	0.038
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.038	0.0681
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.1077	0.1077
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.0256	0.0464
Leishmania major	methionine synthase, putative	0.0121	0.2018	0.362
Echinococcus multilocularis	acetylcholinesterase	0.0071	0.1027	0.1027
Echinococcus granulosus	tar DNA binding protein	0.0065	0.09	0.09
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.09	0.09
Echinococcus multilocularis	thymidylate synthase	0.0113	0.1859	0.1859
Echinococcus granulosus	carbonic anhydrase	0.0111	0.1822	0.1822
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.1077	0.1649
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0099	0.158	0.158
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0099	0.158	0.158
Echinococcus granulosus	chromobox protein 1	0.0073	0.1067	0.1067
Brugia malayi	RNA binding protein	0.0065	0.09	0.1614
Echinococcus granulosus	poly (ADP ribose) polymerase	0.0039	0.0383	0.0383
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0111	0.1822	0.3268
Entamoeba histolytica	phosphofructokinase, putative	0.0111	0.1827	0.3312
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.09	0.09
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1822	0.3268
Schistosoma mansoni	carbonic anhydrase-related	0.0111	0.1822	0.1822
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Brugia malayi	Fli-1 protein	0.0231	0.4217	0.7565
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0256	0.0464
Brugia malayi	Heterochromatin protein 1	0.0073	0.1067	0.1913
Loa Loa (eye worm)	thymidylate synthase	0.0113	0.1859	0.3335
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0033	0.0256	0.0256
Toxoplasma gondii	hypothetical protein	0.0023	0.0075	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1077	0.1932
Mycobacterium ulcerans	B12-dependent methionine synthase	0.0121	0.2018	0.3196
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0111	0.1827	0.3277
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0144	0.2492	0.3977
Schistosoma mansoni	carbonic anhydrase-related	0.0111	0.1822	0.1822
Onchocerca volvulus		0.0074	0.1077	0.5147
Schistosoma mansoni	carbonic anhydrase-related	0.0111	0.1822	0.1822
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0487	0.0882
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.003	0.0205	0.0334
Plasmodium falciparum	GAF domain-related protein, putative	0.0023	0.0075	0.0121
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.1077	0.1649
Echinococcus multilocularis	acetylcholinesterase	0.0071	0.1027	0.1027
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0033	0.0256	0.0459
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1077	0.1932
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0111	0.1822	0.3268
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1822	0.3268
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.038	0.0689
Toxoplasma gondii	phosphofructokinase PFKII	0.003	0.0205	0.0334
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.038	0.0689
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.094	0.094
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.1077	0.1649
Mycobacterium leprae	Probable lipase LipE	0.0074	0.1077	0.1649
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.094	0.1686
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.2778	0.4515
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0295	0.5516	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0256	0.0459
Mycobacterium tuberculosis	Conserved protein	0.0074	0.1077	0.1122
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0111	0.1822	0.3268
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.038	0.0689
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0205	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1027	0.1842
Echinococcus multilocularis	chromobox protein 1	0.0073	0.1067	0.1067
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.1077	0.1122
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0298	0.5574	0.5574
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.038	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0247	0.0444
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0099	0.158	0.2568
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0256	0.0464
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.2778	0.4984
Echinococcus granulosus	acetylcholinesterase	0.0071	0.1027	0.1027
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.008	0.1209	0.1209
Loa Loa (eye worm)	RNA binding protein	0.0065	0.09	0.1614
Plasmodium falciparum	hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase	0.0327	0.6154	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0298	0.5574	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.8 uM	Inhibition of mouse PDE10A assessed as inhibition of hydrolysis of [3H]cGMP to [3H]GMP after 20 mins by scintillation counting	ChEMBL.	21696955

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

ChEMBL: CHEMBL1800306

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1574042