TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 440.341 | Formula: C18H21N2O9P
H donors: 2 H acceptors: 5 LogP: 0.33 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COP(=O)(OC1=C(C(=O)O)N2[C@H](CC1)[C@@H](C2=O)NC(=O)COc1ccccc1)OC
InChi: 1S/C18H21N2O9P/c1-26-30(25,27-2)29-13-9-8-12-15(17(22)20(12)16(13)18(23)24)19-14(21)10-28-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3,(H,19,21)(H,23,24)/t12-,15+/m1/s1
InChiKey: RQRICFVIKCFTEV-DOMZBBRYSA-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
Brugia malayi	Trypsin family protein	0.0037	0.0536	0.0536
Echinococcus multilocularis	neurogenic locus protein delta	0.0076	0.2267	0.2949
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0037	0.0536	0.0536
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0028	0.0141	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Schistosoma mansoni	notch	0.0076	0.2267	0.2267
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.02	0.7687	0.7687
Echinococcus granulosus	delta-like protein 1	0.0076	0.2267	0.2949
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0028	0.0141	0.5
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Echinococcus granulosus	neurogenic locus notch protein	0.0076	0.2267	0.2949
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Brugia malayi	Calcium binding EGF domain containing protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0028	0.0141	0.5
Onchocerca volvulus		0.0076	0.2267	0.2421
Brugia malayi	Fibulin-1 precursor	0.02	0.7687	0.7687
Brugia malayi	Trypsin family protein	0.0037	0.0536	0.0536
Echinococcus granulosus	fibropellin Ia	0.0076	0.2267	0.2949
Loa Loa (eye worm)	hypothetical protein	0.02	0.7687	0.7687
Toxoplasma gondii	EGF family domain-containing protein	0.0076	0.2267	0.2818
Loa Loa (eye worm)	hypothetical protein	0.02	0.7687	0.7687
Loa Loa (eye worm)	notch protein	0.0076	0.2267	0.2267
Onchocerca volvulus	Slit protein homolog	0.0076	0.2267	0.2421
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	Trypsin family protein	0.0037	0.0536	0.0536
Echinococcus granulosus	glycoprotein Antigen 5	0.0037	0.0536	0.0697
Schistosoma mansoni	glutaminase	0.0253	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0035	0.0475	0.0475
Loa Loa (eye worm)	MH2 domain-containing protein	0.0099	0.3283	0.3283
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.02	0.7687	0.7687
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Schistosoma mansoni	notch	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1249	0.1249
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0617	0.0617
Schistosoma mansoni	notch	0.0076	0.2267	0.2267
Echinococcus multilocularis	protein jagged 1	0.0076	0.2267	0.2949
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Echinococcus multilocularis	laminin	0.02	0.7687	1
Mycobacterium ulcerans	glutaminase	0.0253	1	1
Brugia malayi	Trypsin-like protease protein 5	0.0037	0.0536	0.0536
Echinococcus multilocularis	neural cadherin	0.0076	0.2267	0.2949
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Echinococcus granulosus	neural cadherin	0.0076	0.2267	0.2949
Toxoplasma gondii	calcium binding egf domain-containing protein	0.02	0.7687	1
Echinococcus granulosus	protein jagged 2	0.0076	0.2267	0.2949
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	Cadherin domain containing protein	0.0076	0.2267	0.2267
Echinococcus granulosus	notch	0.0076	0.2267	0.2949
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.02	0.7687	0.7687
Loa Loa (eye worm)	hypothetical protein	0.02	0.7687	0.7687
Brugia malayi	Calcium binding EGF domain containing protein	0.02	0.7687	0.7687
Onchocerca volvulus	Putative cubilin	0.0076	0.2267	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Schistosoma mansoni	slit	0.0076	0.2267	0.2267
Echinococcus multilocularis	isocitrate dehydrogenase	0.0028	0.0141	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	transcription factor SMAD2	0.0099	0.3283	0.3283
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Onchocerca volvulus		0.0076	0.2267	0.2421
Brugia malayi	Trypsin family protein	0.0037	0.0536	0.0536
Echinococcus granulosus	Tolloid protein 1	0.02	0.7687	1
Echinococcus granulosus	Mastin	0.0037	0.0536	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus multilocularis	neurogenic locus notch protein	0.0076	0.2267	0.2949
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0028	0.0141	0.5
Echinococcus granulosus	neurogenic locus notch protein	0.0076	0.2267	0.2949
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0035	0.0475	0.0618
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0028	0.0141	0.0141
Schistosoma mansoni	cell polarity protein	0.0076	0.2267	0.2267
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0028	0.0141	0.5
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0028	0.0141	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Echinococcus multilocularis	protein jagged 1	0.0076	0.2267	0.2949
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0028	0.0141	0.0141
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0028	0.0141	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0031	0.027	0.027
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Loa Loa (eye worm)	trypsin family protein	0.0037	0.0536	0.0536
Echinococcus multilocularis	fibrillin 1	0.02	0.7687	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus multilocularis	protein jagged 2	0.0076	0.2267	0.2949
Echinococcus multilocularis	notch	0.0076	0.2267	0.2949
Echinococcus multilocularis	glycoprotein Antigen 5	0.0037	0.0536	0.0697
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0037	0.0536	0.0697
Loa Loa (eye worm)	Notch2	0.0076	0.2267	0.2267
Schistosoma mansoni	hypothetical protein	0.0037	0.0536	0.0536
Echinococcus multilocularis	slit 2 protein	0.0076	0.2267	0.2949
Echinococcus multilocularis	transmembrane protease serine 3	0.0037	0.0536	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	latrophilin 2 splice variant baaae	0.0053	0.1249	0.1249
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.02	0.7687	0.7687
Brugia malayi	isocitrate dehydrogenase	0.0028	0.0141	0.0141
Echinococcus granulosus	neurogenic locus notch protein 4	0.0076	0.2267	0.2949
Onchocerca volvulus		0.0076	0.2267	0.2421
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0028	0.0141	0.0183
Echinococcus multilocularis	Tolloid protein 1	0.02	0.7687	1
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus granulosus	transmembrane protease serine 3	0.0037	0.0536	0.0697
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.02	0.7687	0.7687
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0028	0.0141	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0078	0.2326	0.2326
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.02	0.7687	0.7687
Echinococcus multilocularis	enteropeptidase	0.0037	0.0536	0.0697
Loa Loa (eye worm)	glutaminase	0.0253	1	1
Schistosoma mansoni	septate junction protein	0.0076	0.2267	0.2267
Onchocerca volvulus		0.0076	0.2267	0.2421
Toxoplasma gondii	calcium binding egf domain-containing protein	0.02	0.7687	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0076	0.2267	0.2949
Onchocerca volvulus	Arrow homolog	0.02	0.7687	1
Brugia malayi	Cytochrome P450 family protein	0.005	0.1124	0.1124
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0035	0.0475	0.0475
Brugia malayi	Calcium binding EGF domain containing protein	0.0076	0.2267	0.2267
Onchocerca volvulus	Neurogenic locus notch homolog	0.0076	0.2267	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2326	0.2326
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	MH2 domain containing protein	0.0099	0.3283	0.3283
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0078	0.2326	0.2326
Echinococcus granulosus	laminin	0.02	0.7687	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Brugia malayi	hypothetical protein	0.0037	0.0536	0.0536
Brugia malayi	notch-like transmembrane receptor	0.0076	0.2267	0.2267
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	Cadherin domain containing protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0076	0.2267	0.2949
Echinococcus granulosus	protein jagged 2	0.0076	0.2267	0.2949
Echinococcus granulosus	slit 2 protein	0.0076	0.2267	0.2949
Schistosoma mansoni	notch	0.0076	0.2267	0.2267
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0037	0.0536	0.0697
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Schistosoma mansoni	egf-like domain protein	0.02	0.7687	0.7687
Giardia lamblia	High cysteine protein	0.0076	0.2267	0.5
Echinococcus multilocularis	Mastin	0.0037	0.0536	0.0697
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0028	0.0141	0.0183
Schistosoma mansoni	cercarial elastase (S01 family)	0.0037	0.0536	0.0536
Echinococcus multilocularis	fibropellin Ia	0.0076	0.2267	0.2949
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0028	0.0141	0.5
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0037	0.0536	0.0697
Echinococcus granulosus	protein jagged 1	0.0076	0.2267	0.2949
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0037	0.0536	0.0536
Echinococcus granulosus	enteropeptidase	0.0037	0.0536	0.0697
Schistosoma mansoni	hypothetical protein	0.0053	0.1249	0.1249
Brugia malayi	Calcium binding EGF domain containing protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	Isocitrate dehydrogenase	0.0028	0.0141	0.0141
Schistosoma mansoni	notch	0.0076	0.2267	0.2267
Schistosoma mansoni	hypothetical protein	0.0037	0.0536	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0035	0.0475	0.0618
Echinococcus granulosus	neurogenic locus protein delta	0.0076	0.2267	0.2949
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0617	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus granulosus	protein jagged 1	0.0076	0.2267	0.2949
Brugia malayi	GCC2 and GCC3 family protein	0.0076	0.2267	0.2267
Schistosoma mansoni	hypothetical protein	0.0076	0.2267	0.2267
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0076	0.2267	0.2421
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0078	0.2326	0.2326
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0028	0.0141	0.0183
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0028	0.0141	0.0183
Echinococcus multilocularis	neurogenic locus notch protein	0.0076	0.2267	0.2949
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0037	0.0536	0.0536
Loa Loa (eye worm)	cytochrome P450 family protein	0.005	0.1124	0.1124
Schistosoma mansoni	notch	0.0076	0.2267	0.2267
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.02	0.7687	0.7687
Trichomonas vaginalis	glutaminase, putative	0.0253	1	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Schistosoma mansoni	laminin gamma-3 chain	0.0076	0.2267	0.2267
Loa Loa (eye worm)	glutaminase 2	0.0253	1	1
Brugia malayi	EGF-like domain containing protein	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2267	0.2267
Brugia malayi	Delta serrate ligand family protein	0.0076	0.2267	0.2267
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0076	0.2267	0.2949
Brugia malayi	Muscle positioning protein 4	0.0076	0.2267	0.2267
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0536	0.0536
Onchocerca volvulus		0.0076	0.2267	0.2421

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: CHEMBL1205267

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 948249