TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 417.46 | Formula: C23H23N5O3
H donors: 1 H acceptors: 5 LogP: 2.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC1COCC1Oc1ccc(c(c1)c1nnc2n1c1nc(ccc1nc2C)C1CC1)C
InChi: 1S/C23H23N5O3/c1-12-3-6-15(31-20-11-30-10-19(20)29)9-16(12)22-27-26-21-13(2)24-18-8-7-17(14-4-5-14)25-23(18)28(21)22/h3,6-9,14,19-20,29H,4-5,10-11H2,1-2H3
InChiKey: DJXXFFAIELEXJW-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphodiesterase 10A	Starlite/ChEMBL	No references
Homo sapiens	phosphodiesterase 2A, cGMP-stimulated	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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_135549	All targets in OG5_135549
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	Get druggable targets OG5_135549	All targets in OG5_135549
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	Get druggable targets OG5_135549	All targets in OG5_135549
Schistosoma japonicum	cGMP-dependent 3',5'-cyclic phosphodiesterase, putative	Get druggable targets OG5_135549	All targets in OG5_135549
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135363	All targets in OG5_135363
Schistosoma japonicum	ko:K01120 3',5'-cyclic-nucleotide phosphodiesterase [EC3.1.4.17], putative	Get druggable targets OG5_135549	All targets in OG5_135549
Schistosoma japonicum	cGMP-dependent 3',5'-cyclic phosphodiesterase, putative	Get druggable targets OG5_135549	All targets in OG5_135549

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	phosphodiesterase 2A, cGMP-stimulated	934 aa	748 aa	27.1 %
Trypanosoma brucei	cAMP-specific phosphodiesterase	phosphodiesterase 10A	789 aa	666 aa	30.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0161	0.3009	0.5147
Plasmodium falciparum	GAF domain-related protein, putative	0.0041	0.0512	0.0512
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0036	0.0404	0.069
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0318	0.0515
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.002	0.0032
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0189	0.3595	0.3595
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0388	0.1291
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0413	0.4907
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0057	0.0842	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0036	0.0404	0.0404
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0413	0.0648
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0512	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1682	0.2877
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0035	0.0388	0.061
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0036	0.0413	0.4907
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0057	0.0842	1
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0057	0.0842	1
Brugia malayi	Pre-SET motif family protein	0.0033	0.0343	0.0556
Toxoplasma gondii	GAF domain-containing protein	0.0041	0.0512	0.0783
Schistosoma mansoni	glucose transport protein	0.0117	0.2094	0.696
Leishmania major	protein kinase, putative	0.0036	0.0404	0.4794
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.004	0.0487	0.0788
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0036	0.0404	0.0617
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0103	0.18	0.2825
Trypanosoma brucei	glucose transporter 1E	0.0036	0.0413	0.4907
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.051	0.6053
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0251	0.043
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0134	0.0211
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0201	0.0669
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0413	0.0648
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0019	0.0062	0.0094
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0036	0.0404	0.0404
Echinococcus multilocularis	transient receptor potential ion channel A	0.0104	0.1813	0.2935
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0189	0.3595	0.5495
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0343	0.0587
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0343	0.1141
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0161	0.3009	0.4872
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0036	0.0404	0.0404
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0035	0.0388	0.0629
Trypanosoma cruzi	hexose transporter	0.0036	0.0413	0.4907
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0497	1	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0313	0.6176	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0343	0.0556
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0413	0.4907
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0062	0.0946	0.1484
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.002	0.0032
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0201	0.0316
Echinococcus granulosus	transient receptor potential ion channel A	0.0104	0.1813	0.2935
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0388	0.0664
Toxoplasma gondii	hypothetical protein	0.0041	0.0512	0.0783
Echinococcus granulosus	calcium dependent protein kinase	0.0034	0.0357	0.0579
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0035	0.0388	0.0955
Leishmania major	glucose transporter, lmgt3	0.0036	0.0413	0.4907
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0413	0.0648
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0036	0.0404	0.0404
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0035	0.0388	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1058	0.181
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.002	0.0032
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.002	0.0032
Brugia malayi	Transient-receptor-potential like protein	0.004	0.0487	0.0788
Schistosoma mansoni	hypothetical protein	0.0017	0.002	0.0066
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0313	0.6176	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0117	0.2094	0.3391
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0057	0.0842	0.1363
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0413	0.4907
Treponema pallidum	fructose-bisphosphate aldolase	0.0323	0.6372	0.5
Schistosoma mansoni	transient receptor potential channel	0.0071	0.1132	0.3763
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.051	0.6053
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0201	0.2391
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0019	0.0062	0.0094
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0158	0.2938	1
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0	0.5
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0413	0.0648
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0413	0.4907
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0413	0.0648
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0512	0.0512
Plasmodium falciparum	hexose transporter	0.0117	0.2094	0.2094
Brugia malayi	Sugar transporter family protein	0.0117	0.2094	0.3391
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.18	0.2825
Plasmodium falciparum	proline--tRNA ligase	0.0041	0.051	0.051
Trypanosoma cruzi	GAF domain/TIP41-like family, putative	0.0046	0.0616	0.7317
Giardia lamblia	Fructose-bisphosphate aldolase	0.0323	0.6372	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0036	0.0404	0.0404
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0413	0.0648
Leishmania major	glucose transporter, lmgt2	0.0036	0.0413	0.4907
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0189	0.3595	0.3595
Schistosoma mansoni	hypothetical protein	0.0017	0.002	0.0066
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0036	0.0404	0.0404
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0161	0.3009	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0071	0.1132	0.1833
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Giardia lamblia	Prolyl-tRNA synthetase	0.0035	0.0388	0.061
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0512	0.0804
Entamoeba histolytica	protein kinase, putative	0.0036	0.0404	0.0328
Trichomonas vaginalis	set domain proteins, putative	0.0262	0.51	0.8003
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0046	0.0616	0.2097
Entamoeba histolytica	protein kinase, putative	0.0036	0.0404	0.0328
Toxoplasma gondii	hypothetical protein	0.0041	0.0512	0.0783
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Schistosoma mansoni	transient receptor potential channel	0.0071	0.1132	0.3763
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.002	0.0034
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0036	0.0404	0.069
Plasmodium falciparum	protein kinase 7	0.0331	0.6542	0.6542
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Plasmodium falciparum	lysine--tRNA ligase	0.0026	0.0201	0.0201
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0512	0.1393
Trypanosoma brucei	glucose transporter 2A	0.0036	0.0413	0.4907
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0041	0.051	0.0779
Leishmania major	hypothetical protein, conserved	0.0046	0.0616	0.7317
Echinococcus granulosus	lysyl tRNA synthetase	0.0026	0.0201	0.0326
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0388	0.0629
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.051	0.6053
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0041	0.0512	0.1743
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0057	0.0842	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Schistosoma mansoni	protein kinase	0.0036	0.0404	0.1341
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Loa Loa (eye worm)	hypothetical protein	0.004	0.0487	0.0833
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0388	0.0629
Echinococcus granulosus	TRP transient receptor potential channel	0.004	0.0487	0.0788
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Plasmodium vivax	SET domain protein, putative	0.0033	0.0343	0.0343
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0413	0.4907
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0313	0.6176	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0057	0.0842	0.1363
Brugia malayi	lysyl-tRNA synthetase	0.0026	0.0201	0.0326
Loa Loa (eye worm)	sugar transporter	0.0117	0.2094	0.3582
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0413	0.0648
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0201	0.0291
Brugia malayi	hypothetical protein	0.0097	0.1682	0.2723
Schistosoma mansoni	hypothetical protein	0.0038	0.044	0.1463
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trypanosoma cruzi	hexose transporter, putative	0.002	0.007	0.0837
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0388	0.1291
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Schistosoma mansoni	hypothetical protein	0.0017	0.002	0.0066
Mycobacterium ulcerans	putative regulatory protein	0.0041	0.0512	0.1743
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.051	0.6053
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.0119	0.0406
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0035	0.0388	0.0303
Toxoplasma gondii	facilitative glucose transporter GT1	0.0117	0.2094	0.3201
Echinococcus multilocularis	GPCR, family 2	0.0017	0.002	0.0032
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0343	0.1141
Echinococcus multilocularis	lysyl tRNA synthetase	0.0026	0.0201	0.0326
Trypanosoma cruzi	GAF domain/TIP41-like family, putative	0.0046	0.0616	0.7317
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Schistosoma mansoni	protein kinase	0.0036	0.0404	0.1341
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0103	0.18	0.2825
Echinococcus multilocularis	short transient receptor potential channel 6	0.0071	0.1132	0.1833
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0803	0.1373
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0036	0.0404	0.0617
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0036	0.0404	0.0653
Giardia lamblia	Lysyl-tRNA synthetase	0.0026	0.0201	0.0316
Mycobacterium ulcerans	putative regulatory protein	0.0041	0.0512	0.1743
Loa Loa (eye worm)	hypothetical protein	0.0038	0.044	0.0753
Echinococcus multilocularis	calcium dependent protein kinase	0.0034	0.0357	0.0579
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0036	0.0404	0.0653
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Schistosoma mansoni	transient receptor potential channel	0.0107	0.1887	0.6272
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0057	0.0842	0.2798
Schistosoma mansoni	transient receptor potential channel 4	0.0107	0.1887	0.6272
Schistosoma mansoni	glucose transport protein	0.0117	0.2094	0.696
Brugia malayi	Pre-SET motif family protein	0.023	0.4439	0.7187
Echinococcus granulosus	GPCR family 2	0.0017	0.002	0.0032
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0036	0.0404	0.4794
Brugia malayi	Cam kinase protein 1	0.0036	0.0404	0.0653
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0343	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1887	0.3228
Echinococcus granulosus	transient receptor potential gamma protein	0.0107	0.1887	0.3056
Leishmania major	lysyl-tRNA synthetase, putative	0.0026	0.0201	0.2391
Chlamydia trachomatis	lysine--tRNA ligase	0.0026	0.0201	0.5
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0201	0.0685
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.051	0.6053
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0413	0.4907
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.002	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0034
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0413	0.4907
Plasmodium vivax	lysine--tRNA ligase, putative	0.0026	0.0201	0.0201
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0026	0.0201	0.2391
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0057	0.0842	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0404	0.069
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0803	0.13
Loa Loa (eye worm)	hypothetical protein	0.0297	0.5847	1
Loa Loa (eye worm)	hypothetical protein	0.0256	0.4992	0.8538
Schistosoma mansoni	hypothetical protein	0.0017	0.002	0.0066
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0343	0.1141
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0057	0.0842	1
Trypanosoma brucei	GAF domain/TIP41-like family, putative	0.0046	0.0616	0.7317
Toxoplasma gondii	hypothetical protein	0.0041	0.0512	0.0783
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0343	0.0556
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0404	0.0653
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0158	0.2938	1
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0036	0.0404	0.0404
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0087	0.1471	0.5006
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.023	0.4439	0.7592
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0803	0.13
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0062	0.0946	0.1484
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0057	0.0842	0.1321
Echinococcus multilocularis	General substrate transporter	0.0101	0.1752	0.2836
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0158	0.2938	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1682	0.2877
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2094	0.3391
Onchocerca volvulus		0.0262	0.51	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0323	0.6372	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0201	0.0344
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.2094	0.3286
Schistosoma mansoni	protein kinase	0.0036	0.0404	0.1341
Toxoplasma gondii	lysine-tRNA ligase	0.0026	0.0201	0.0308
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0323	0.6372	1
Toxoplasma gondii	protein kinase, putative	0.0331	0.6542	1
Schistosoma mansoni	glucose transport protein	0.0117	0.2094	0.696
Echinococcus multilocularis	transient receptor potential gamma protein	0.0107	0.1887	0.3056
Plasmodium vivax	hexose transporter	0.0117	0.2094	0.2094
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0036	0.0404	0.0617
Trichomonas vaginalis	CAMK family protein kinase	0.0036	0.0404	0.0633
Echinococcus granulosus	General substrate transporter	0.0101	0.1752	0.2836
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0201	0.0669
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0512	0.0804
Schistosoma mansoni	hypothetical protein	0.0117	0.2094	0.696
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0388	0.0664
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.002	0.0032
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0119	0.0406
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0404	0.1341
Plasmodium vivax	proline--tRNA ligase, putative	0.0041	0.051	0.051
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0087	0.1471	0.5006
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0036	0.0404	0.0404
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0343	0.0556
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0512	0.0804
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0201	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0412	0.0705
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0103	0.18	0.2825
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0057	0.0842	0.1321
Schistosoma mansoni	eyes absent homolog	0.0097	0.1682	0.559
Echinococcus granulosus	short transient receptor potential channel 6	0.0071	0.1132	0.1833
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0323	0.6372	1
Leishmania major	glucose transporter, lmgt1	0.0036	0.0413	0.4907
Onchocerca volvulus		0.0033	0.0343	0.0673
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0343	0.0525
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0803	0.1373
Echinococcus multilocularis	short transient receptor potential channel 6	0.0071	0.1132	0.1833
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.044	0.0713
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0036	0.0404	0.0404

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3 nM	Fluorescence Polarization Assay	BINDINGDB.	No reference
IC50 (binding)	= 6 nM	Fluorescence Polarization Assay	BINDINGDB.	No reference
IC50 (binding)	= 12 nM	Fluorescence Polarization Assay	BINDINGDB.	No reference
IC50 (binding)	= 45 nM	BindingDB_Patents: Fluorescence Polarization Assay. The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for ~3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed.All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component).	ChEMBL.	No reference
IC50 (binding)	= 91 nM	BindingDB_Patents: Fluorescence Polarization Assay. The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for ~3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed.All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component).	ChEMBL.	No reference
IC50 (binding)	= 167 nM	BindingDB_Patents: Fluorescence Polarization Assay. The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Order No. R7506), IMAP TR-FRET screening express (Molecular Devices, Order No. R8160, the TR-FRET component will not be used) and PDE 2A or PDE10 protein expressed upon baculovirus infection in SF9 cells. The cells were incubated after infection for ~3 days and protein production was confirmed by Western Blot. The cells were collected by centrifugation and the pellet frozen in liquid nitrogen before it was resuspended in PBS containing 1% Triton X-100 and protease inhibitors. After 45 min incubation on ice, the cell debris was removed by centrifugation (13.000 rpm, 30 min). Since SF 9 cells do not express cAMP hydrolyzing enzymes to a high extent, no further purification of the protein was needed.All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component).	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

ChEMBL: CHEMBL3693315

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1990519