TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 479.573 | Formula: C29H29N5O2
H donors: 1 H acceptors: 4 LogP: 3.42 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC(CC1)n1c(CCc2ccccc2)nc2c1nccc2)CC1NC(=O)c2c1cccc2
InChi: 1S/C29H29N5O2/c35-27(19-25-22-9-4-5-10-23(22)29(36)32-25)33-17-14-21(15-18-33)34-26(13-12-20-7-2-1-3-8-20)31-24-11-6-16-30-28(24)34/h1-11,16,21,25H,12-15,17-19H2,(H,32,36)
InChiKey: NZLCIQLSBMYQAX-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
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0229	0.0229
Schistosoma mansoni	cathepsin D (A01 family)	0.0509	0.2426	1
Brugia malayi	Protein kinase domain containing protein	0.0116	0.0186	0.0011
Brugia malayi	aspartic protease BmAsp-2, identical	0.0123	0.0229	0.0055
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0128	0.0255	0.0489
Schistosoma mansoni	tyrosine kinase	0.0192	0.0622	0.1948
Brugia malayi	Integrin alpha pat-2 precursor	0.015	0.0384	0.0212
Schistosoma mansoni	tyrosine kinase	0.0194	0.0634	0.2
Schistosoma mansoni	integrin alpha	0.015	0.0384	0.0883
Echinococcus multilocularis	epidermal growth factor receptor	0.0362	0.1586	0.9614
Echinococcus multilocularis	Mastin	0.0128	0.0255	0.0611
Plasmodium vivax	plasmepsin IV, putative	0.0206	0.07	0.0935
Trypanosoma cruzi	hypothetical protein, conserved	0.0372	0.1643	0.5
Plasmodium vivax	aspartyl proteinase, putative	0.0206	0.07	0.0935
Schistosoma mansoni	tyrosine kinase	0.0194	0.0634	0.2
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.184	1	1
Echinococcus granulosus	enteropeptidase	0.0128	0.0255	0.0489
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0206	0.07	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0362	0.1586	0.1586
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0206	0.07	0.3617
Loa Loa (eye worm)	TK/INSR protein kinase	0.0116	0.0186	0.0186
Echinococcus granulosus	epidermal growth factor receptor	0.0362	0.1586	0.9609
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0768	0.0768
Brugia malayi	hypothetical protein	0.0123	0.0229	0.0055
Onchocerca volvulus		0.0128	0.0255	0.1339
Plasmodium falciparum	plasmepsin I	0.0206	0.07	0.0935
Brugia malayi	Trypsin family protein	0.0128	0.0255	0.0082
Onchocerca volvulus		0.0128	0.0255	0.1339
Echinococcus multilocularis	enteropeptidase	0.0128	0.0255	0.0611
Onchocerca volvulus		0.0128	0.0255	0.1339
Brugia malayi	hypothetical protein	0.0123	0.0229	0.0055
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0255	0.0311
Onchocerca volvulus		0.0123	0.0229	0.1174
Onchocerca volvulus		0.0218	0.0768	0.4539
Plasmodium vivax	plasmepsin V, putative	0.1008	0.5264	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0374	0.1655	0.1655
Toxoplasma gondii	aspartyl protease ASP5	0.0885	0.4563	1
Schistosoma mansoni	tyrosine kinase	0.0192	0.0622	0.1948
Brugia malayi	aspartic protease BmAsp-1, identical	0.0123	0.0229	0.0055
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0123	0.0229	0.0055
Brugia malayi	Pepsin A precursor	0.0123	0.0229	0.0055
Onchocerca volvulus		0.0372	0.1643	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Schistosoma mansoni	hypothetical protein	0.0372	0.1643	0.6504
Plasmodium falciparum	plasmepsin VI	0.0206	0.07	0.0935
Schistosoma mansoni	cathepsin D (A01 family)	0.0509	0.2426	1
Toxoplasma gondii	aspartyl protease ASP1	0.0206	0.07	0.1086
Echinococcus granulosus	Mastin	0.0128	0.0255	0.0489
Schistosoma mansoni	integrin beta subunit	0.0181	0.056	0.167
Schistosoma mansoni	hypothetical protein	0.0128	0.0255	0.0311
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0194	0.0634	0.3083
Onchocerca volvulus		0.0128	0.0255	0.1339
Brugia malayi	Trypsin family protein	0.0218	0.0768	0.0603
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0768	0.0768
Brugia malayi	Furin-like cysteine rich region family protein	0.0362	0.1586	0.1436
Plasmodium falciparum	plasmepsin V	0.1008	0.5264	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0206	0.07	0.1086
Schistosoma mansoni	tyrosine kinase	0.0362	0.1586	0.6249
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Loa Loa (eye worm)	aspartyl protease 6	0.0123	0.0229	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0206	0.07	0.07
Mycobacterium ulcerans	hypothetical protein	0.0128	0.0255	0.5
Loa Loa (eye worm)	hypothetical protein	0.0118	0.02	0.02
Echinococcus multilocularis	integrin beta 2	0.0228	0.0826	0.4474
Echinococcus multilocularis	tissue type plasminogen activator	0.0372	0.1643	1
Leishmania major	hypothetical protein, conserved	0.0372	0.1643	0.5
Toxoplasma gondii	aspartyl protease ASP3	0.0202	0.0679	0.1039
Brugia malayi	Integrin beta pat-3 precursor	0.0308	0.128	0.1125
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0229	0.0229
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0128	0.0255	0.0611
Brugia malayi	Kringle domain containing protein	0.0372	0.1643	0.1494
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0255	0.0311
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0206	0.07	0.3535
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Echinococcus granulosus	transmembrane protease serine 3	0.0128	0.0255	0.0489
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0372	0.1643	0.2808
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0123	0.0229	0.0229
Echinococcus multilocularis	integrin alpha 3	0.0115	0.0184	0.0128
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0206	0.07	0.07
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Onchocerca volvulus		0.0123	0.0229	0.1174
Plasmodium vivax	aspartyl protease, putative	0.0202	0.0679	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0255	0.0255
Loa Loa (eye worm)	integrin alpha pat-2	0.0232	0.0847	0.0847
Loa Loa (eye worm)	trypsin family protein	0.0128	0.0255	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.0128	0.0255	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0255	0.0255
Echinococcus granulosus	epidermal growth factor receptor	0.0194	0.0634	0.3083
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0255	0.0311
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0218	0.0768	0.2599
Loa Loa (eye worm)	integrin beta-2	0.0308	0.128	0.128
Loa Loa (eye worm)	hypothetical protein	0.0372	0.1643	0.1643
Brugia malayi	hypothetical protein	0.0128	0.0255	0.0082
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Echinococcus multilocularis	transmembrane protease serine 3	0.0128	0.0255	0.0611
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0255	0.0311
Toxoplasma gondii	kringle domain-containing protein	0.0372	0.1643	0.3262
Brugia malayi	Trypsin-like protease protein 5	0.0128	0.0255	0.0082
Schistosoma mansoni	tyrosine kinase	0.0192	0.0622	0.1948
Echinococcus multilocularis	epidermal growth factor receptor	0.0194	0.0634	0.3171
Onchocerca volvulus		0.0128	0.0255	0.1339
Echinococcus granulosus	tissue type plasminogen activator	0.0372	0.1643	1
Schistosoma mansoni	memapsin-2 (A01 family)	0.0123	0.0229	0.0193
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0128	0.0255	0.0082
Plasmodium falciparum	plasmepsin IX	0.0202	0.0679	0.0894
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Echinococcus granulosus	integrin beta 2	0.0228	0.0826	0.4402
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0255	0.0311
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0206	0.07	0.2294
Echinococcus granulosus	glycoprotein Antigen 5	0.0128	0.0255	0.0489
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0123	0.0229	0.0193
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0116	0.0186	0.0012
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0116	0.0186	0.014
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0128	0.0255	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0255	0.0255
Echinococcus multilocularis	glycoprotein Antigen 5	0.0128	0.0255	0.0611
Plasmodium falciparum	plasmepsin IV	0.0206	0.07	0.0935
Echinococcus multilocularis	insulin receptor	0.0116	0.0186	0.014
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0255	0.0255
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0128	0.0255	0.0489
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.0255	0.0311
Plasmodium falciparum	cysteine repeat modular protein 1	0.0372	0.1643	0.2808
Brugia malayi	Protein kinase domain containing protein	0.0374	0.1655	0.1506
Brugia malayi	Trypsin family protein	0.0128	0.0255	0.0082
Plasmodium falciparum	plasmepsin X	0.0202	0.0679	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0255	0.0255
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0218	0.0768	0.2599
Brugia malayi	Trypsin family protein	0.0128	0.0255	0.0082
Echinococcus granulosus	insulin receptor	0.0116	0.0186	0.0012
Plasmodium falciparum	plasmepsin II	0.0206	0.07	0.0935
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.0255	0.0611
Plasmodium vivax	aspartyl protease, putative	0.0202	0.0679	0.0894

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 821589