TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.41 | Formula: C17H19N2O2S+
H donors: 0 H acceptors: 2 LogP: 4.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(C1C(=O)N(CC2CC2)c2[n+](C1=O)c1ccccc1s2)C
InChi: 1S/C17H19N2O2S/c1-10(2)14-15(20)18(9-11-7-8-11)17-19(16(14)21)12-5-3-4-6-13(12)22-17/h3-6,10-11,14H,7-9H2,1-2H3/q+1
InChiKey: ZKTUYKQOJWCNPL-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
Toxoplasma gondii	hypothetical protein	0.018	0.0711	0.0441
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0132	0.0283	0.0337
Echinococcus granulosus	methionyl aminopeptidase 2	0.0132	0.0283	0.0283
Toxoplasma gondii	methionine aminopeptidase	0.1045	0.8398	0.8351
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0132	0.0283	0.0283
Brugia malayi	metallopeptidase family M24 containing protein	0.0132	0.0283	0.0283
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0132	0.0283	0.0337
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.1225	1	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.1225	1	1
Treponema pallidum	methionine aminopeptidase (map)	0.1045	0.8398	1
Echinococcus multilocularis	xaa pro aminopeptidase	0.0132	0.0283	0.0283
Brugia malayi	initiation factor 2-associated protein.	0.0132	0.0283	0.0283
Brugia malayi	metallopeptidase family M24 containing protein	0.0132	0.0283	0.0283
Brugia malayi	metallopeptidase family M24 containing protein	0.0132	0.0283	0.0283
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.0132	0.0283	0.0337
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0132	0.0283	0.0337
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.1045	0.8398	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Trypanosoma brucei	methionine aminopeptidase, putative	0.1225	1	1
Onchocerca volvulus	Dipeptidase C homolog	0.0132	0.0283	0.5
Loa Loa (eye worm)	initiation factor 2-associated protein	0.0132	0.0283	0.0283
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0132	0.0283	0.0337
Echinococcus multilocularis	FACT complex subunit SPT16	0.0132	0.0283	0.0283
Echinococcus granulosus	xaa pro aminopeptidase	0.0132	0.0283	0.0283
Plasmodium falciparum	HP12 protein homolog, putative	0.018	0.0711	0.0441
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.1225	1	1
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0132	0.0283	0.0337
Loa Loa (eye worm)	DNA-binding protein	0.0132	0.0283	0.0283
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0132	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0283	0.0283
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0132	0.0283	0.0283
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Echinococcus multilocularis	methionyl aminopeptidase 2	0.0132	0.0283	0.0283
Giardia lamblia	Xaa-Pro dipeptidase	0.0132	0.0283	0.5
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.1045	0.8398	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.1045	0.8398	0.8398
Entamoeba histolytica	aminopeptidase, putative	0.0132	0.0283	0.5
Echinococcus granulosus	Proliferation associated protein 2G4	0.0132	0.0283	0.0283
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.1045	0.8398	0.8351
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Onchocerca volvulus		0.0132	0.0283	0.5
Loa Loa (eye worm)	methionine aminopeptidase type I	0.1225	1	1
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.1045	0.8398	0.8351
Leishmania major	hypothetical protein, conserved	0.018	0.0711	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0283	0.0283
Trypanosoma cruzi	hypothetical protein, conserved	0.018	0.0711	0.0441
Echinococcus granulosus	xaa Pro dipeptidase	0.0132	0.0283	0.0283
Onchocerca volvulus	Methionine aminopeptidase 2 homolog	0.0132	0.0283	0.5
Echinococcus granulosus	methionine aminopeptidase type I	0.0132	0.0283	0.0283
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0132	0.0283	0.0283
Entamoeba histolytica	peptidase, putative	0.0132	0.0283	0.5
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.1225	1	1
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.1225	1	1
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.1225	1	1
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0132	0.0283	0.0283
Chlamydia trachomatis	methionine aminopeptidase	0.1045	0.8398	1
Echinococcus multilocularis	xaa Pro dipeptidase	0.0132	0.0283	0.0283
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Giardia lamblia	Methionine aminopeptidase	0.0132	0.0283	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0132	0.0283	0.0337
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.1225	1	1
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.1045	0.8398	0.8351
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Entamoeba histolytica	methionine aminopeptidase, putative	0.0132	0.0283	0.5
Mycobacterium ulcerans	methionine aminopeptidase	0.1045	0.8398	1
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.1045	0.8398	1
Trypanosoma brucei	hypothetical protein, conserved	0.018	0.0711	0.0441
Plasmodium vivax	hypothetical protein, conserved	0.018	0.0711	0.0441
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.1225	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Echinococcus granulosus	xaa Pro dipeptidase	0.0132	0.0283	0.0283
Echinococcus multilocularis	xaa Pro dipeptidase	0.0132	0.0283	0.0283
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.1045	0.8398	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0283	0.0283
Echinococcus granulosus	FACT complex subunit SPT16	0.0132	0.0283	0.0283
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.1045	0.8398	1
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.1045	0.8398	1
Entamoeba histolytica	Xaa-Pro dipeptidase, putative	0.0132	0.0283	0.5
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.1225	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0132	0.0283	0.5
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.1045	0.8398	1
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0132	0.0283	0.0283
Giardia lamblia	Xaa-Pro dipeptidase	0.0132	0.0283	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.018	0.0711	0.0441
Entamoeba histolytica	hypothetical protein, conserved	0.0132	0.0283	0.5
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.1045	0.8398	1
Onchocerca volvulus	FACT complex subunit SPT16 homolog	0.0132	0.0283	0.5
Toxoplasma gondii	methionine aminopeptidase	0.1225	1	1
Schistosoma mansoni	peptidase	0.0132	0.0283	0.0337

Activities

Activity type	Activity value	Assay description	Source	Reference
I50 (binding)	0 uM	Inhibition of bovine heart cAMP-phosphodiesterase (Insoluble)	ChEMBL.	6265639

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 282857