TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 328.362 | Formula: C18H20N2O4
H donors: 1 H acceptors: 1 LogP: 2.69 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COC(c1ccccc1)C(=O)N/N=C/c1ccc(c(c1)OC)OC
InChi: 1S/C18H20N2O4/c1-22-15-10-9-13(11-16(15)23-2)12-19-20-18(21)17(24-3)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,20,21)/b19-12+
InChiKey: NXOQHEXTJMLVJC-XDHOZWIPSA-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
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
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

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
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.0288	0.9417
Loa Loa (eye worm)	RNA binding protein	0.009	0.2018	0.2621
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0028	0.0145	0.0188
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0143	0.3605	1
Mycobacterium ulcerans	beta-lactamase	0.0028	0.0145	1
Brugia malayi	TAR-binding protein	0.009	0.2018	0.2532
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0028	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0145	0.0188
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0028	0.0145	0.0145
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0075	0.1569	0.1569
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0143	0.3605	0.3605
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0143	0.3605	0.4523
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0033	0.0304	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0033	0.0288	0.9417
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0033	0.0304	1
Schistosoma mansoni	tar DNA-binding protein	0.009	0.2018	0.2018
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0289	0.7971	0.7971
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Echinococcus multilocularis	G protein coupled receptor 139	0.0357	1	1
Mycobacterium tuberculosis	Conserved protein	0.0028	0.0145	0.0279
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0075	0.1569	0.1569
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Toxoplasma gondii	ABC1 family protein	0.0028	0.0145	0.4462
Loa Loa (eye worm)	beta-lactamase	0.0028	0.0145	0.0188
Mycobacterium tuberculosis	Conserved protein	0.0028	0.0145	0.0279
Schistosoma mansoni	hypothetical protein	0.0049	0.0768	0.0768
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0028	0.0145	0.0279
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0033	0.0304	1
Brugia malayi	RNA binding protein	0.009	0.2018	0.2532
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0289	0.7971	0.7971
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0033	0.0288	0.8947
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	penicillin-binding protein, putative	0.0028	0.0145	0.4462
Echinococcus granulosus	tar DNA binding protein	0.009	0.2018	0.2018
Trichomonas vaginalis	CMGC family protein kinase	0.0033	0.0304	1
Schistosoma mansoni	amine GPCR	0.0204	0.5429	0.5429
Brugia malayi	beta-lactamase	0.0028	0.0145	0.0182
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Plasmodium falciparum	GAF domain-related protein, putative	0.0023	0.0016	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Mycobacterium ulcerans	esterase/lipase LipP	0.0028	0.0145	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0028	0.0145	0.0279
Echinococcus multilocularis	mitogen activated protein kinase	0.0033	0.0304	0.0304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0075	0.1569	0.1569
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0288	0.9417
Mycobacterium tuberculosis	Probable lipase LipD	0.0028	0.0145	0.0279
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0143	0.3605	0.4683
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0033	0.0288	0.0288
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0071	0.1442	0.1809
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0075	0.1569	0.1969
Loa Loa (eye worm)	hypothetical protein	0.028	0.77	1
Brugia malayi	beta-lactamase family protein	0.0028	0.0145	0.0182
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	CMGC family protein kinase	0.0033	0.0304	1
Loa Loa (eye worm)	TAR-binding protein	0.009	0.2018	0.2621
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0075	0.1569	0.1569
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0033	0.0304	0.0395
Trichomonas vaginalis	CMGC family protein kinase	0.0033	0.0304	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0075	0.1569	0.1569
Echinococcus granulosus	beta LACTamase domain containing family member	0.0028	0.0145	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.009	0.2018	0.2018
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Echinococcus multilocularis	tar DNA binding protein	0.009	0.2018	0.2018
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0145	1
Schistosoma mansoni	hypothetical protein	0.0125	0.3066	0.3066
Echinococcus multilocularis	geminin	0.0125	0.3066	0.3066
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0033	0.0288	0.8947
Trichomonas vaginalis	D-aminoacylase, putative	0.0028	0.0145	0.4462
Echinococcus multilocularis	neuropeptide receptor	0.0357	1	1
Schistosoma mansoni	neuropeptide receptor	0.0357	1	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0288	0.8947
Mycobacterium tuberculosis	Probable hydrolase	0.0028	0.0145	0.0279
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1442	0.1872
Trichomonas vaginalis	CMGC family protein kinase	0.0033	0.0304	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0049	0.0768	0.0964
Schistosoma mansoni	vesicular acetylcholine transporter	0.0143	0.3605	0.3605
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0075	0.1569	0.1569
Schistosoma mansoni	tar DNA-binding protein	0.009	0.2018	0.2018
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0075	0.1569	0.2038
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Mycobacterium leprae	conserved hypothetical protein	0.0028	0.0145	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0071	0.1442	0.1809
Schistosoma mansoni	tar DNA-binding protein	0.009	0.2018	0.2018
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0288	0.0374
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0033	0.0304	1
Onchocerca volvulus		0.0028	0.0145	0.0402
Schistosoma mansoni	tar DNA-binding protein	0.009	0.2018	0.2018
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0033	0.0304	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0028	0.0145	0.4462
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	esterase, putative	0.0028	0.0145	0.4462
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Echinococcus granulosus	geminin	0.0125	0.3066	0.3066
Echinococcus granulosus	mitogen activated protein kinase	0.0033	0.0304	0.0304
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0145	0.0188
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0145	0.0188
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0289	0.7971	1
Mycobacterium tuberculosis	Conserved protein	0.0028	0.0145	0.0279
Echinococcus granulosus	vesicular acetylcholine transporter	0.0143	0.3605	0.3605
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0256	0.6996	0.9086
Onchocerca volvulus		0.0028	0.0145	0.0402
Trichomonas vaginalis	D-aminoacylase, putative	0.0028	0.0145	0.4462
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Brugia malayi	RNA recognition motif domain containing protein	0.009	0.2018	0.2532
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0033	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0145	0.0188
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0033	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0145	0.0188
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0177	0.4629	1
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0033	0.0288	0.0361
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.009	0.2018	0.2621
Brugia malayi	beta-lactamase family protein	0.0028	0.0145	0.0182
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0033	0.0288	0.0288
Mycobacterium tuberculosis	Probable esterase LipL	0.0028	0.0145	0.0279
Brugia malayi	MAP kinase sur-1	0.0033	0.0304	0.0382
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0075	0.1569	0.1569
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0145	0.0188
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0028	0.0145	0.0182
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0145	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0071	0.1442	0.1872
Echinococcus granulosus	mitogen activated protein kinase 3	0.0033	0.0304	0.0304
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0033	0.0288	0.0288
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0033	0.0304	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0033	0.0304	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0028	0.0145	0.0145
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0028	0.0145	0.0279
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Mycobacterium leprae	Probable lipase LipE	0.0028	0.0145	1
Mycobacterium ulcerans	lipase LipD	0.0028	0.0145	1
Giardia lamblia	Kinase, CMGC MAPK	0.0033	0.0304	0.5
Trypanosoma brucei	protein kinase, putative	0.0033	0.0304	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Mycobacterium tuberculosis	Probable lipase LipE	0.0028	0.0145	0.0279
Schistosoma mansoni	hypothetical protein	0.0125	0.3066	0.3066
Trichomonas vaginalis	penicillin-binding protein, putative	0.0028	0.0145	0.4462
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0768	0.0998
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0288	0.8947
Onchocerca volvulus		0.0028	0.0145	0.0402
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0033	0.0304	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0028	0.0145	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0033	0.0288	0.9417
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0033	0.0288	0.9417
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0033	0.0288	0.8947

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 359 nM	Inhibition of mouse PDE10A-mediated hydrolysis of [3H]cGMP to [3H]GMP after 20 mins by scintillation counting	ChEMBL.	22841436

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: CHEMBL2069651

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1660887