TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.825 | Formula: C15H26ClNO3
H donors: 2 H acceptors: 1 LogP: 4.01 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCNCc1cc(OC)c(c(c1)OC)O.Cl
InChi: 1S/C15H25NO3.ClH/c1-4-5-6-7-8-16-11-12-9-13(18-2)15(17)14(10-12)19-3;/h9-10,16-17H,4-8,11H2,1-3H3;1H
InChiKey: DXTICUUQLNQIRF-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
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0147	0.0897	0.0862
Toxoplasma gondii	methionine aminopeptidase	0.1389	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0276	0.0286
Echinococcus multilocularis	FACT complex subunit SPT16	0.0147	0.0897	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0196	0.0196
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.1162	0.8339	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0276	0.0286
Brugia malayi	metallopeptidase family M24 containing protein	0.0147	0.0897	0.0897
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.05	0.0463
Toxoplasma gondii	methionine aminopeptidase	0.1162	0.8339	0.8333
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.1162	0.8339	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0534	0.0534
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0147	0.0897	0.0862
Toxoplasma gondii	peptidase D, putative	0.0147	0.0897	0.0862
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Chlamydia trachomatis	methionine aminopeptidase	0.1162	0.8339	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Echinococcus multilocularis	geminin	0.0177	0.1121	0.1086
Loa Loa (eye worm)	initiation factor 2-associated protein	0.0147	0.0897	0.0897
Echinococcus granulosus	FACT complex subunit SPT16	0.0147	0.0897	0.0869
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0147	0.0897	0.0897
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0147	0.0897	0.1034
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0127	0.0096
Toxoplasma gondii	proliferation-associated protein 2G4, putative	0.0147	0.0897	0.0862
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0182	0.0182
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.1162	0.8339	1
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.1162	0.8339	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.1389	1	1
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.0147	0.0897	0.1034
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.1389	1	1
Toxoplasma gondii	methionine aminopeptidase, type i, putative	0.1162	0.8339	0.8333
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0147	0.0897	0.0897
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Leishmania major	transcription factor-like protein	0.0147	0.0897	0.0897
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0147	0.0897	0.1034
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0534	0.0497
Echinococcus granulosus	methionine aminopeptidase type I	0.0147	0.0897	0.0869
Plasmodium vivax	hypothetical protein, conserved	0.0227	0.1482	0.1448
Echinococcus multilocularis	protein patched	0.0042	0.0127	0.0088
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.1162	0.8339	0.8333
Schistosoma mansoni	hypothetical protein	0.004	0.0116	0.0093
Brugia malayi	initiation factor 2-associated protein.	0.0147	0.0897	0.0897
Schistosoma mansoni	hypothetical protein	0.0034	0.0068	0.0035
Giardia lamblia	Methionine aminopeptidase	0.0147	0.0897	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0534	0.0534
Echinococcus granulosus	expressed conserved protein	0.0091	0.0491	0.0461
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Echinococcus multilocularis	xaa pro aminopeptidase	0.0147	0.0897	0.0862
Echinococcus multilocularis	protein dispatched 1	0.0048	0.017	0.0132
Schistosoma mansoni	hypothetical protein	0.004	0.0116	0.0093
Plasmodium falciparum	methionine aminopeptidase 1b, putative	0.1389	1	1
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0147	0.0897	0.1034
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0039	0.0008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.05	0.0555
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.1389	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Schistosoma mansoni	peptidase	0.0147	0.0897	0.1034
Brugia malayi	Pre-SET motif family protein	0.0207	0.134	0.134
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0276	0.0286
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.1162	0.8339	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.05	0.0463
Plasmodium falciparum	methionine aminopeptidase 1a, putative	0.1162	0.8339	0.8176
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0147	0.0897	0.0862
Schistosoma mansoni	hypothetical protein	0.004	0.0116	0.0093
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.1389	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0227	0.1482	0.0642
Treponema pallidum	methionine aminopeptidase (map)	0.1162	0.8339	1
Giardia lamblia	Xaa-Pro dipeptidase	0.0147	0.0897	0.5
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0147	0.0897	0.0869
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0127	0.0096
Brugia malayi	Pre-SET motif family protein	0.003	0.0039	0.0039
Giardia lamblia	Xaa-Pro dipeptidase	0.0147	0.0897	0.5
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0147	0.0897	0.0897
Leishmania major	aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24	0.0147	0.0897	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0182	0.0182
Entamoeba histolytica	peptidase, putative	0.0147	0.0897	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.084	0.0811
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0276	0.0238
Brugia malayi	RNA binding protein	0.0062	0.0276	0.0276
Entamoeba histolytica	Xaa-Pro dipeptidase, putative	0.0147	0.0897	1
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.1389	1	1
Plasmodium falciparum	HP12 protein homolog, putative	0.0227	0.1482	0.0642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.05	0.047
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0276	0.0246
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0147	0.0897	0.1034
Echinococcus multilocularis	xaa Pro dipeptidase	0.0147	0.0897	0.0862
Mycobacterium ulcerans	dipeptidase PepE	0.0147	0.0897	0.1076
Entamoeba histolytica	methionine aminopeptidase, putative	0.0147	0.0897	1
Echinococcus granulosus	geminin	0.0177	0.1121	0.1093
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0127
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0068	0.0068
Mycobacterium ulcerans	methionine aminopeptidase	0.1162	0.8339	1
Mycobacterium leprae	Probable cytoplasmic peptidase PepQ	0.0147	0.0897	0.1076
Entamoeba histolytica	hypothetical protein, conserved	0.0147	0.0897	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0182	0.0182
Plasmodium vivax	methionine aminopeptidase 1b, putative	0.1389	1	1
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Toxoplasma gondii	methionine aminopeptidase 2, putative	0.0147	0.0897	0.0862
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0276	0.0276
Onchocerca volvulus		0.0236	0.155	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0127	0.0088
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0147	0.0897	0.1034
Schistosoma mansoni	hypothetical protein	0.0177	0.1121	0.1303
Onchocerca volvulus		0.0147	0.0897	0.579
Plasmodium vivax	peptidase, putative	0.0147	0.0897	0.0862
Entamoeba histolytica	aminopeptidase, putative	0.0147	0.0897	1
Leishmania major	methionine aminopeptidase 2, putative	0.0147	0.0897	0.0897
Echinococcus granulosus	xaa Pro dipeptidase	0.0147	0.0897	0.0869
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.05	0.05
Brugia malayi	CHE-14 protein	0.0042	0.0127	0.0127
Plasmodium vivax	methionine aminopeptidase 1a, putative	0.1162	0.8339	0.8333
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.05	0.05
Plasmodium vivax	FACT complex subunit SPT16, putative	0.0147	0.0897	0.0862
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.05	0.0555
Leishmania major	hypothetical protein, conserved	0.0227	0.1482	0.1482
Plasmodium vivax	proliferation-associated protein 2g4, putative	0.0147	0.0897	0.0862
Trypanosoma brucei	methionine aminopeptidase, putative	0.1389	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0276	0.0286
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Brugia malayi	TAR-binding protein	0.0062	0.0276	0.0276
Echinococcus multilocularis	methionyl aminopeptidase 2	0.0147	0.0897	0.0862
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0147	0.0897	0.0897
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0491	0.0454
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.084	0.0804
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0276	0.0286
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.1482	0.0642
Leishmania major	hypothetical protein, conserved	0.0147	0.0897	0.0897
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0127	0.0127
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.155	1
Onchocerca volvulus	Methionine aminopeptidase 2 homolog	0.0147	0.0897	0.579
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0534	0.0505
Schistosoma mansoni	hypothetical protein	0.0177	0.1121	0.1303
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0182	0.0182
Mycobacterium ulcerans	aminopeptidase	0.0147	0.0897	0.1076
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.1162	0.8339	1
Echinococcus multilocularis	xaa Pro dipeptidase	0.0147	0.0897	0.0862
Mycobacterium ulcerans	dipeptidase	0.0147	0.0897	0.1076
Plasmodium vivax	methionine aminopeptidase 1c, putative	0.0147	0.0897	0.0862
Brugia malayi	metallopeptidase family M24 containing protein	0.0147	0.0897	0.0897
Echinococcus granulosus	xaa Pro dipeptidase	0.0147	0.0897	0.0869
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0545	0.061
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0147	0.0897	0.0897
Onchocerca volvulus	FACT complex subunit SPT16 homolog	0.0147	0.0897	0.579
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0147	0.0897	0.0897
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Onchocerca volvulus	Dipeptidase C homolog	0.0147	0.0897	0.579
Echinococcus granulosus	methionyl aminopeptidase 2	0.0147	0.0897	0.0869
Schistosoma mansoni	patched 1	0.0042	0.0127	0.0106
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0276	0.0276
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0147	0.0897	0.1034
Brugia malayi	metallopeptidase family M24 containing protein	0.0147	0.0897	0.0897
Echinococcus granulosus	xaa pro aminopeptidase	0.0147	0.0897	0.0869
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0897	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0897	0.0897
Echinococcus granulosus	Proliferation associated protein 2G4	0.0147	0.0897	0.0869
Toxoplasma gondii	transcriptional elongation factor FACT140	0.0147	0.0897	0.0862
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0276	0.0276
Toxoplasma gondii	creatinase domain-containing protein	0.0147	0.0897	0.0862
Plasmodium vivax	methionine aminopeptidase 2, putative	0.0147	0.0897	0.0862
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.1482	0.0642
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.0534	0.5952
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.1162	0.8339	1
Mycobacterium tuberculosis	Probable cytoplasmic peptidase PepQ	0.0147	0.0897	0.1076
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.1389	1	1
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.1389	1	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.134	0.134
Loa Loa (eye worm)	hypothetical protein	0.003	0.0039	0.0039
Mycobacterium ulcerans	cytoplasmic peptidase PepQ	0.0147	0.0897	0.1076
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.1162	0.8339	1
Loa Loa (eye worm)	methionine aminopeptidase type I	0.1389	1	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.0897	0.0897
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0147	0.0897	0.5414
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.05	0.047
Toxoplasma gondii	hypothetical protein	0.0227	0.1482	0.1448
Loa Loa (eye worm)	DNA-binding protein	0.0147	0.0897	0.0897
Mycobacterium tuberculosis	Dipeptidase PepE	0.0147	0.0897	0.1076
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.05	0.0555
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	0.004	0.0116	0.0093
Onchocerca volvulus		0.003	0.0039	0.0251
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0276	0.0276

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

ChEMBL: CHEMBL542562

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1035620