TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.565 | Formula: C24H35N5O5
H donors: 2 H acceptors: 6 LogP: -1.74 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H](N1C[C@H](C)[C@H](OCc2n(CCCC1=O)nnc2)CN(Cc1cccc(c1)C(=O)O)C)C
InChi: 1S/C24H35N5O5/c1-17-12-28(18(2)15-30)23(31)8-5-9-29-21(11-25-26-29)16-34-22(17)14-27(3)13-19-6-4-7-20(10-19)24(32)33/h4,6-7,10-11,17-18,22,30H,5,8-9,12-16H2,1-3H3,(H,32,33)/t17-,18-,22+/m0/s1
InChiKey: PSXRWHUTFZNORG-NPPFBWRTSA-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 granulosus	guanine nucleotide binding protein Gs subunit	0.0495	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0841	0.0822
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0495	1	1
Toxoplasma gondii	aminopeptidase n, putative	0.0029	0.0021	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0504	0.0484
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0495	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0111	0.1776	0.1776
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0162	0.2873	0.2873
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0029	0.0021	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0082	0.1153	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0504	0.0484
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0841	0.0822
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0029	0.0021	1
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0841	0.0841
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0082	0.1153	0.1134
Brugia malayi	RNA binding protein	0.0067	0.0841	0.0841
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0029	0.0021	0.0021
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0154	0.2711	1
Toxoplasma gondii	aminopeptidase N protein	0.0029	0.0021	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.0082	0.1153	0.4208
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0841	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0051	0.0504	0.0484
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0841	0.0822
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0495	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0841	0.0822
Trypanosoma cruzi	aminopeptidase, putative	0.0082	0.1153	1
Brugia malayi	Peptidase family M1 containing protein	0.0082	0.1153	0.1153
Brugia malayi	TAR-binding protein	0.0067	0.0841	0.0841
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0053	0.0539	0.0519
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0053	0.0539	0.0519
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0504	0.0504
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0504	0.0484
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0053	0.0539	0.4678
Onchocerca volvulus		0.0256	0.4887	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0111	0.1776	0.1759
Brugia malayi	Peptidase family M1 containing protein	0.0082	0.1153	0.1153
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2873	0.2873
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0504	0.0504
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0495	1	1
Onchocerca volvulus		0.0082	0.1153	0.2326
Brugia malayi	hypothetical protein	0.0082	0.1153	0.1153
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0162	0.2873	0.2873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0495	1	1
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0029	0.0021	0.0184
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0082	0.1153	0.1134
Echinococcus multilocularis	aminopeptidase N	0.0082	0.1153	0.1134
Mycobacterium tuberculosis	Probable aminotransferase	0.0154	0.2711	0.5
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0082	0.1153	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0504	0.0484
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0841	0.0822
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0504	0.0504
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0082	0.1153	0.4208
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0154	0.2711	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0029	0.0021	0.0184
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0841	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0021	0.0021
Trypanosoma brucei	Aminopeptidase M1, putative	0.0082	0.1153	1
Loa Loa (eye worm)	pax transcription factor protein 2	0.0256	0.4887	0.4887
Entamoeba histolytica	aminopeptidase, putative	0.0082	0.1153	0.5
Brugia malayi	TATA binding protein associated factor	0.0029	0.0021	0.0021
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0029	0.0021	1
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0504	0.0484
Toxoplasma gondii	aminopeptidase N, putative	0.0029	0.0021	1
Brugia malayi	hypothetical protein	0.0029	0.0021	0.0021
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Trypanosoma brucei	aminopeptidase, putative	0.0029	0.0021	0.0184
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0029	0.0021	0.0184
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0162	0.2873	0.2873
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0082	0.1153	1
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0029	0.0021	0.0184
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0841	0.0822
Loa Loa (eye worm)	TATA binding protein associated factor	0.0029	0.0021	0.0021
Brugia malayi	Pax transcription factor protein 2	0.0256	0.4887	0.4887
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0082	0.1153	0.4208
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0029	0.0021	0.0184
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0029	0.0021	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0539	0.0539
Trypanosoma cruzi	aminopeptidase, putative	0.0029	0.0021	0.0184
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0029	0.0021	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1776	0.1776
Schistosoma mansoni	hypothetical protein	0.0051	0.0504	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0504	0.0504
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0029	0.0021	0.0021
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0082	0.1153	1
Echinococcus granulosus	aminopeptidase N	0.0082	0.1153	0.1134
Mycobacterium ulcerans	hypothetical protein	0.0154	0.2711	1
Echinococcus granulosus	GPCR family 2	0.0051	0.0504	0.0484
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Schistosoma mansoni	hypothetical protein	0.0051	0.0504	0.0484
Trypanosoma brucei	Aminopeptidase M1, putative	0.0082	0.1153	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0495	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0841	0.0822
Brugia malayi	Peptidase family M1 containing protein	0.0029	0.0021	0.0021
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0154	0.2711	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0539	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0539	0.0539
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0495	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0504	0.0484
Onchocerca volvulus		0.0082	0.1153	0.2326
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0082	0.1153	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0082	0.1153	0.1134
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0841	0.0841
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0082	0.1153	0.1134
Loa Loa (eye worm)	aminopeptidase N	0.0082	0.1153	0.1153
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0154	0.2711	0.5

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: CHEMBL3181801

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1869453