TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.437 | Formula: C19H27N3O2
H donors: 2 H acceptors: 2 LogP: 2.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccccc1C(=O)N[C@H]1CCN2[C@@H](C1)CCC[C@H]2C
InChi: 1S/C19H27N3O2/c1-13-6-5-7-16-12-15(10-11-22(13)16)21-19(24)17-8-3-4-9-18(17)20-14(2)23/h3-4,8-9,13,15-16H,5-7,10-12H2,1-2H3,(H,20,23)(H,21,24)/t13-,15+,16-/m1/s1
InChiKey: DDGMSQQKUNNITO-VNQPRFMTSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0044	1	1
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Leishmania major	hypothetical protein, conserved	0.0005	0.0549	0.0549
Echinococcus multilocularis	FACT complex subunit SPT16	0.0005	0.0549	0.0549
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Mycobacterium leprae	Probable cytoplasmic peptidase PepQ	0.0005	0.0549	0.5
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0005	0.0549	0.5
Toxoplasma gondii	methionine aminopeptidase	0.0005	0.0549	0.0549
Onchocerca volvulus	Methionine aminopeptidase 2 homolog	0.0044	1	1
Mycobacterium tuberculosis	Dipeptidase PepE	0.0005	0.0549	0.5
Entamoeba histolytica	methionine aminopeptidase, putative	0.0044	1	1
Mycobacterium ulcerans	dipeptidase PepE	0.0005	0.0549	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Brugia malayi	olfactory channel protein osm-9	0.0004	0.0274	0.0274
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Trypanosoma cruzi	aminopeptidase P, putative	0.0005	0.0549	0.0549
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0005	0.0549	0.0549
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0005	0.0549	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0005	0.0549	0.0549
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0005	0.0549	0.0549
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0005	0.0549	0.0549
Plasmodium vivax	methionine aminopeptidase 2, putative	0.0044	1	1
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Echinococcus multilocularis	short transient receptor potential channel 6	0.0004	0.0274	0.0274
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0005	0.0549	0.5
Toxoplasma gondii	peptidase D, putative	0.0005	0.0549	0.0549
Schistosoma mansoni	transient receptor potential channel	0.0003	0.00000040722	0.00000040722
Echinococcus multilocularis	transient receptor potential cation channel	0.0004	0.0274	0.0274
Schistosoma mansoni	peptidase	0.0005	0.0549	0.0549
Brugia malayi	metallopeptidase family M24 containing protein	0.0005	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0549	0.0549
Wolbachia endosymbiont of Brugia malayi	Xaa-Pro aminopeptidase	0.0005	0.0549	0.5
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0005	0.0549	0.0549
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0005	0.0549	0.0549
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0044	1	1
Brugia malayi	metallopeptidase family M24 containing protein	0.0005	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0549	0.0549
Chlamydia trachomatis	aminopeptidase P	0.0005	0.0549	0.5
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.0044	1	1
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0005	0.0549	0.0549
Echinococcus multilocularis	xaa Pro dipeptidase	0.0005	0.0549	0.0549
Mycobacterium tuberculosis	Probable cytoplasmic peptidase PepQ	0.0005	0.0549	0.5
Treponema pallidum	methionine aminopeptidase (map)	0.0005	0.0549	0.5
Treponema pallidum	aminopeptidase P	0.0005	0.0549	0.5
Giardia lamblia	Methionine aminopeptidase	0.0044	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0044	1	1
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0005	0.0549	0.0549
Trypanosoma brucei	Xaa-Pro aminopeptidase, putative	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0005	0.0549	0.5
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0005	0.0549	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0044	1	1
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Echinococcus granulosus	short transient receptor potential channel 6	0.0004	0.0274	0.0274
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Leishmania major	transcription factor-like protein	0.0005	0.0549	0.0549
Echinococcus granulosus	xaa Pro dipeptidase	0.0005	0.0549	0.0549
Mycobacterium ulcerans	dipeptidase	0.0005	0.0549	0.5
Trypanosoma brucei	methionine aminopeptidase, putative	0.0005	0.0549	0.0549
Toxoplasma gondii	transcriptional elongation factor FACT140	0.0005	0.0549	0.0549
Trypanosoma brucei	Metallopeptidase family M24, putative	0.0005	0.0549	0.0549
Schistosoma mansoni	transient receptor potential channel	0.0004	0.0274	0.0274
Mycobacterium ulcerans	aminopeptidase	0.0005	0.0549	0.5
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0005	0.0549	0.0549
Mycobacterium ulcerans	cytoplasmic peptidase PepQ	0.0005	0.0549	0.5
Loa Loa (eye worm)	DNA-binding protein	0.0005	0.0549	0.0549
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Trypanosoma brucei	methionine aminopeptidase 2, putative	0.0044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0003	0.00000040722	0.00000040722
Echinococcus granulosus	xaa pro aminopeptidase	0.0005	0.0549	0.0549
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0005	0.0549	0.0549
Toxoplasma gondii	proliferation-associated protein 2G4, putative	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Brugia malayi	metallopeptidase family M24 containing protein	0.0005	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0274	0.0274
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0044	1	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0003	0.00000040722	0.00000040722
Echinococcus granulosus	transient receptor potential cation channel	0.0003	0.00000040722	0.00000040722
Echinococcus multilocularis	transient receptor potential cation channel	0.0004	0.0274	0.0274
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Plasmodium falciparum	methionine aminopeptidase 2	0.0044	1	1
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0005	0.0549	0.0549
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0044	1	1
Loa Loa (eye worm)	initiation factor 2-associated protein	0.0044	1	1
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0005	0.0549	0.0549
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Toxoplasma gondii	methionine aminopeptidase 2, putative	0.0044	1	1
Echinococcus multilocularis	xaa Pro dipeptidase	0.0005	0.0549	0.0549
Chlamydia trachomatis	methionine aminopeptidase	0.0005	0.0549	0.5
Loa Loa (eye worm)	hypothetical protein	0.0003	0.00000040722	0.00000040722
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Echinococcus granulosus	methionyl aminopeptidase 2	0.0044	1	1
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.0005	0.0549	0.0549
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0005	0.0549	0.0549
Echinococcus granulosus	transient receptor potential cation channel	0.0003	0.00000040722	0.00000040722
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0005	0.0549	0.0549
Toxoplasma gondii	creatinase domain-containing protein	0.0005	0.0549	0.0549
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0005	0.0549	0.0549
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0005	0.0549	0.0549
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0005	0.0549	0.0549
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0005	0.0549	0.0549
Echinococcus granulosus	Proliferation associated protein 2G4	0.0005	0.0549	0.0549
Trypanosoma cruzi	Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative	0.0005	0.0549	0.0549
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0005	0.0549	0.0549
Mycobacterium ulcerans	methionine aminopeptidase	0.0005	0.0549	0.5
Leishmania major	aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Onchocerca volvulus		0.0005	0.0549	0.0549
Trypanosoma cruzi	aminopeptidase P1, putative	0.0005	0.0549	0.0549
Echinococcus multilocularis	methionyl aminopeptidase 2	0.0044	1	1
Toxoplasma gondii	methionine aminopeptidase	0.0005	0.0549	0.0549
Echinococcus multilocularis	xaa pro aminopeptidase	0.0005	0.0549	0.0549
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0005	0.0549	0.5
Echinococcus granulosus	transient receptor potential cation channel	0.0004	0.0274	0.0274
Schistosoma mansoni	transient receptor potential channel	0.0003	0.00000040722	0.00000040722
Trypanosoma brucei	Facilitates chromatin transcription complex subunit spt16	0.0005	0.0549	0.0549
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0005	0.0549	0.0549
Echinococcus granulosus	FACT complex subunit SPT16	0.0005	0.0549	0.0549
Echinococcus granulosus	methionine aminopeptidase type I	0.0005	0.0549	0.0549
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0044	1	1
Leishmania major	methionine aminopeptidase 2, putative	0.0044	1	1
Onchocerca volvulus	FACT complex subunit SPT16 homolog	0.0005	0.0549	0.0549
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0005	0.0549	0.0549
Onchocerca volvulus	Dipeptidase C homolog	0.0005	0.0549	0.0549
Echinococcus granulosus	xaa Pro dipeptidase	0.0005	0.0549	0.0549
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0005	0.0549	0.0549
Brugia malayi	Methionine aminopeptidase protein type I	0.0005	0.0549	0.0549
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0005	0.0549	0.0549

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 100 ug ml-1	Cytotoxicity against A/WSN/33 strain (an H1N1 subtype) influenza virus in the plaque reduction assay	ChEMBL.	10465540
EC50 (functional)	0 ug ml-1	Inhibitory activity against A/WSN/33 strain (an H1N1 subtype) influenza virus was measured by cell protection assay in MDBK cells; Not active	ChEMBL.	10465540

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: CHEMBL71627

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 114368