TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 367.465 | Formula: C20H21N3O2S
H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1sc2c(c1C)c(=O)n1c(n2)CCCCC1)Nc1ccccc1C
InChi: 1S/C20H21N3O2S/c1-12-8-5-6-9-14(12)21-18(24)17-13(2)16-19(26-17)22-15-10-4-3-7-11-23(15)20(16)25/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,21,24)
InChiKey: MQRVOCMJVHKNNC-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.012	0.0847	0.0969
Loa Loa (eye worm)	glycogen phosphorylase	0.0227	0.2572	0.4507
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0204	0.2212	0.8601
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.031	0.3913	0.3904
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0654	0.9475	1
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0204	0.2212	0.1806
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.009	0.0375	0.0052
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Loa Loa (eye worm)	PDE1B protein	0.0233	0.2678	0.4724
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.012	0.0847	0.1016
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0092	0.04	0.0422
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Mycobacterium ulcerans	hypothetical protein	0.0665	0.965	0.9632
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.009	0.0375	0.0052
Schistosoma mansoni	glycogen phosphorylase	0.0227	0.2572	0.3896
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0227	0.2572	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0233	0.2678	0.4752
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0654	0.9475	1
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0093	0.0421	0.0079
Echinococcus granulosus	Glycosyl transferase family 35	0.0227	0.2572	0.4536
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0204	0.2212	0.8267
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0204	0.2212	0.3769
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Mycobacterium ulcerans	hypothetical protein	0.0345	0.4477	0.4189
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0092	0.04	0.0055
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0093	0.0421	0.5
Echinococcus granulosus	glycogen phosphorylase	0.0227	0.2572	0.4536
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0093	0.0421	0.0445
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0093	0.0421	0.0445
Giardia lamblia	Glycogen phosphorylase	0.0227	0.2572	1
Mycobacterium tuberculosis	Probable transcriptional regulatory protein	0.0665	0.965	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0093	0.0421	0.0146
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0093	0.0421	0.0079
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0093	0.0421	0.0146
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0204	0.2212	0.8267
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0393	0.525	1
Mycobacterium ulcerans	two component transcriptional regulatory protein DevR	0.0665	0.965	0.9632
Chlamydia trachomatis	glycogen phosphorylase	0.0227	0.2572	0.5
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0393	0.525	1
Toxoplasma gondii	hypothetical protein	0.0106	0.0618	0.4617
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.012	0.0847	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0204	0.2212	0.8601
Mycobacterium tuberculosis	Possible two component transcriptional regulatory protein (probably LuxR-family)	0.0665	0.965	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.012	0.0847	0.1016
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0204	0.2212	0.8601
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.012	0.0847	0.1016
Schistosoma mansoni	glycogen phosphorylase	0.0227	0.2572	0.3896
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Entamoeba histolytica	glycogen phosphorylase, putative	0.0227	0.2572	1
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (LuxR-family)	0.0665	0.965	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0112	0.0724	0.0765
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0227	0.2572	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0227	0.2572	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.031	0.3913	0.3904
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0233	0.2678	0.4752
Schistosoma mansoni	memapsin-2 (A01 family)	0.0443	0.6055	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0227	0.2572	0.4536
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0654	0.9475	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0204	0.2212	0.3769
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0092	0.04	0.0422
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0092	0.04	0.0422
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0204	0.2212	0.8601
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0393	0.525	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.012	0.0847	0.0872
Trichomonas vaginalis	conserved hypothetical protein	0.0089	0.035	0.1359
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0393	0.525	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.031	0.3913	0.4129
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0089	0.035	0.1359
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0345	0.4477	0.4349
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0204	0.2212	0.8601
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0089	0.035	0.0369
Mycobacterium tuberculosis	Possible transcriptional regulatory protein	0.0665	0.965	1
Echinococcus multilocularis	glycogen phosphorylase	0.0227	0.2572	0.4536
Schistosoma mansoni	glycogen phosphorylase	0.0098	0.0496	0.0257
Mycobacterium leprae	PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN	0.0665	0.965	0.5
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0141	0.1196	0.0764
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0233	0.2678	0.4724
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0233	0.2678	0.4081
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Mycobacterium ulcerans	two component transcriptional regulator	0.0665	0.965	0.9632
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0204	0.2212	0.8601
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Mycobacterium tuberculosis	Possible nitrate/nitrite response transcriptional regulatory protein NarL	0.0665	0.965	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Mycobacterium ulcerans	nitrate/nitrite response regulator protein NarL	0.0665	0.965	0.9632
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0089	0.035	0.1359
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0393	0.525	0.8589
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0089	0.035	0.1359
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0227	0.2572	1
Brugia malayi	carbohydrate phosphorylase	0.0227	0.2572	0.4507
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0204	0.2212	0.7914
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.012	0.0847	0.1016
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0089	0.035	0.0369
Echinococcus granulosus	glycogen phosphorylase	0.0227	0.2572	0.4536
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0089	0.035	0.0369
Echinococcus multilocularis	glycogen phosphorylase	0.0227	0.2572	0.4536
Leishmania major	mitochondrial DNA polymerase beta	0.0654	0.9475	1
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (probably LuxR/UhpA-family)	0.0665	0.965	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0089	0.035	0.1359

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 868968