TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 738.807 | Formula: C38H51N4O9P
H donors: 5 H acceptors: 6 LogP: 4.39 Rotable bonds: 23
Rule of 5 violations (Lipinski): 2
SMILES: CCOP(=O)(C([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2c1cccc2)NC(=O)OCc1ccccc1)CC(C)C)O)OCC
InChi: 1S/C38H51N4O9P/c1-5-50-52(48,51-6-2)37(46)33(23-29-19-20-39-34(29)43)41-35(44)31(21-25(3)4)40-36(45)32(42-38(47)49-24-26-13-8-7-9-14-26)22-28-17-12-16-27-15-10-11-18-30(27)28/h7-18,25,29,31-33,37,46H,5-6,19-24H2,1-4H3,(H,39,43)(H,40,45)(H,41,44)(H,42,47)/t29-,31-,32-,33-,37?/m0/s1
InChiKey: RFOHSHVYRLKDPI-AZYJLDSSSA-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
Leishmania major	cathepsin L-like protease	0.0063	0.0558	1
Onchocerca volvulus	Chorion peroxidase homolog	0.004	0.0067	0.0003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Trypanosoma brucei	protein kinase, putative	0.0056	0.0417	0.7481
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0191	0.3249	0.3249
Onchocerca volvulus		0.0048	0.025	0.063
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.0417	0.7481
Entamoeba histolytica	glycogen phosphorylase, putative	0.0107	0.1496	1
Brugia malayi	SPARC precursor	0.004	0.0066	0.0222
Onchocerca volvulus	Peroxidase homolog	0.004	0.0067	0.0003
Chlamydia trachomatis	glycogen phosphorylase	0.0107	0.1496	0.5
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0178	0.2983	0.2983
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.025	0.025
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.006	0.0492	0.8824
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.0213	0.3721	1
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0046	0.021	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0558	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0558	1
Trypanosoma cruzi	MFS transporter, putative	0.0058	0.0455	0.815
Brugia malayi	MAP kinase sur-1	0.0056	0.0417	0.1399
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Onchocerca volvulus	Putative organic anion transporter	0.0058	0.0455	0.1331
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Brugia malayi	prolyl oligopeptidase family protein	0.006	0.0492	0.165
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.0417	0.0417
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0391	0.0601
Onchocerca volvulus	Peroxidasin homolog	0.004	0.0067	0.0003
Schistosoma mansoni	agrin	0.004	0.0066	0.0102
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0067	0.0226
Onchocerca volvulus	Peroxidasin homolog	0.004	0.0067	0.0003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Toxoplasma gondii	transporter, major facilitator family protein	0.0058	0.0455	0.1063
Echinococcus multilocularis	glycogen phosphorylase	0.0107	0.1496	0.1496
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.004	0.0066	0.0222
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0067	0.0226
Echinococcus multilocularis	follistatin	0.004	0.0066	0.0066
Schistosoma mansoni	peroxidasin	0.004	0.0067	0.0103
Loa Loa (eye worm)	prolyl oligopeptidase	0.0178	0.2983	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0067	0.0226
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0058	0.0455	0.0455
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.0417	0.7481
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0391	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Brugia malayi	mbt repeat family protein	0.0048	0.025	0.0839
Onchocerca volvulus		0.0058	0.0455	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0195	0.0653
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.0417	0.1399
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.025	0.0384
Brugia malayi	prolyl oligopeptidase family protein	0.0178	0.2983	1
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0178	0.2983	0.4579
Echinococcus multilocularis	agrin	0.004	0.0066	0.0066
Entamoeba histolytica	glycogenphosphorylase, putative	0.0046	0.021	0.1405
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Onchocerca volvulus	Putative organic anion transporter	0.0058	0.0455	0.1331
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.0417	0.7481
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0046	0.021	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.0417	0.7481
Onchocerca volvulus	Putative organic anion transporter	0.0058	0.0455	0.1331
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0066	0.0222
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0067	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0058	0.0455	0.0455
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0417	0.2789
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0107	0.1496	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.004	0.0066	0.0222
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.004	0.0066	0.0222
Echinococcus granulosus	geminin	0.0345	0.6515	0.6515
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.0417	0.096
Schistosoma mansoni	organic anion transporter	0.0058	0.0455	0.0698
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.006	0.0492	0.0756
Loa Loa (eye worm)	hypothetical protein	0.004	0.0066	0.0222
Onchocerca volvulus		0.0058	0.0455	0.1331
Brugia malayi	hypothetical protein	0.0046	0.0195	0.0653
Loa Loa (eye worm)	glycogen phosphorylase	0.0107	0.1496	0.5016
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0107	0.1496	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0391	0.1312
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Echinococcus multilocularis	geminin	0.0345	0.6515	0.6515
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.025	0.063
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.006	0.0492	0.0492
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0067	0.0226
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0067	0.0226
Schistosoma mansoni	hypothetical protein	0.0345	0.6515	1
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.0417	0.2789
Schistosoma mansoni	hypothetical protein	0.0294	0.5429	0.8333
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.025	0.0384
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0191	0.3249	0.3249
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.0417	0.0417
Onchocerca volvulus		0.004	0.0067	0.0003
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.006	0.0492	0.8824
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0391	0.0391
Leishmania major	cathepsin L-like protease	0.0063	0.0558	1
Brugia malayi	Peroxidasin	0.004	0.0067	0.0226
Echinococcus multilocularis	glycogen phosphorylase	0.0107	0.1496	0.1496
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0443	0.7936
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.004	0.0066	0.0222
Loa Loa (eye worm)	blistered cuticle protein 3	0.004	0.0067	0.0226
Brugia malayi	secreted modular calcium-binding protein 1	0.004	0.0066	0.0222
Brugia malayi	Blistered cuticle protein 3	0.004	0.0067	0.0226
Echinococcus multilocularis	peroxidasin	0.004	0.0067	0.0067
Onchocerca volvulus		0.0058	0.0455	0.1331
Schistosoma mansoni	glycogen phosphorylase	0.0107	0.1496	0.2297
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0417	0.7481
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0058	0.0455	0.0455
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.006	0.0492	0.8824
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0107	0.1496	0.4903
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0178	0.2983	1
Echinococcus granulosus	agrin	0.004	0.0066	0.0066
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.025	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0048	0.025	0.0839
Loa Loa (eye worm)	hypothetical protein	0.004	0.0066	0.0222
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.006	0.0492	0.1165
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.0417	0.0417
Leishmania major	cathepsin L-like protease	0.0063	0.0558	1
Brugia malayi	sodium-independent organic anion transporter family protein	0.0058	0.0455	0.1524
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.025	0.025
Echinococcus granulosus	glycogen phosphorylase	0.0107	0.1496	0.1496
Echinococcus granulosus	peroxidasin	0.004	0.0067	0.0067
Schistosoma mansoni	glycogen phosphorylase	0.0107	0.1496	0.2297
Schistosoma mansoni	peroxidasin	0.004	0.0067	0.0103
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0274	0.4908
Loa Loa (eye worm)	MBCTL1	0.0055	0.0391	0.1312
Echinococcus granulosus	Glycosyl transferase family 35	0.0107	0.1496	0.1496
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0417	0.2789
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0058	0.0455	0.0455
Onchocerca volvulus	Peroxidase homolog	0.004	0.0067	0.0003
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0417	0.2789
Onchocerca volvulus		0.0058	0.0455	0.1331
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0558	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.0417	0.7481
Brugia malayi	hypothetical protein	0.0058	0.0455	0.1524
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0067	0.0226
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.025	0.025
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0417	0.0641
Brugia malayi	sodium-independent organic anion transporter family protein	0.0058	0.0455	0.1524
Schistosoma mansoni	organic anion transporter	0.0058	0.0455	0.0698
Loa Loa (eye worm)	animal heme peroxidase	0.004	0.0067	0.0226
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Echinococcus granulosus	Dipeptidyl peptidase 9	0.006	0.0492	0.0492
Loa Loa (eye worm)	hypothetical protein	0.004	0.0066	0.0222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.006	0.0492	0.8824
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Loa Loa (eye worm)	agrin synaptic family protein	0.004	0.0066	0.0222
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.025	0.0839
Onchocerca volvulus		0.0058	0.0455	0.1331
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0107	0.1496	0.1496
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0391	0.1312
Brugia malayi	hypothetical protein	0.0058	0.0455	0.1524
Schistosoma mansoni	glycogen phosphorylase	0.0046	0.021	0.0323
Brugia malayi	Animal haem peroxidase family protein	0.004	0.0067	0.0226
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Onchocerca volvulus	Dual oxidase homolog	0.004	0.0067	0.0003
Brugia malayi	prostaglandin transporter	0.0058	0.0455	0.1524
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0058	0.0455	0.1524
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.0417	0.0417
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.006	0.0492	0.8824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Onchocerca volvulus		0.004	0.0067	0.0003
Brugia malayi	hypothetical protein	0.004	0.0067	0.0226
Giardia lamblia	Glycogen phosphorylase	0.0107	0.1496	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0391	0.0391
Schistosoma mansoni	follistatin	0.004	0.0066	0.0102
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0178	0.2983	0.2983
Echinococcus granulosus	glycogen phosphorylase	0.0107	0.1496	0.1496
Echinococcus granulosus	neuropeptide receptor A26	0.0511	1	1
Brugia malayi	sodium-independent organic anion transporter family protein	0.0058	0.0455	0.1524
Echinococcus multilocularis	neuropeptide receptor A26	0.0511	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0455	0.1524
Entamoeba histolytica	glycogen phosphorylase, putative	0.0046	0.021	0.1405
Loa Loa (eye worm)	hypothetical protein	0.004	0.0067	0.0226
Entamoeba histolytica	glycogen phosphorylase, putative	0.0046	0.021	0.1405
Schistosoma mansoni	hypothetical protein	0.0345	0.6515	1
Echinococcus multilocularis	neuropeptide s receptor	0.0511	1	1
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.025	0.025
Brugia malayi	carbohydrate phosphorylase	0.0107	0.1496	0.5016
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0417	0.7481
Onchocerca volvulus		0.004	0.0067	0.0003
Echinococcus multilocularis	expressed protein	0.004	0.0066	0.0066
Entamoeba histolytica	glycogen phosphorylase, putative	0.0107	0.1496	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.004	0.0066	0.0222
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0417	0.2789
Brugia malayi	mbt repeat family protein	0.0048	0.025	0.0839
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0558	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0391	0.0391
Echinococcus granulosus	follistatin	0.004	0.0066	0.0066

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: CHEMBL2441747

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 1793405