TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 724.74 | Formula: C35H45N6O9P
H donors: 2 H acceptors: 7 LogP: 3.29 Rotable bonds: 23
Rule of 5 violations (Lipinski): 2
SMILES: CC[C@@H]([C@@H](C(=O)OCCOP(=O)(COCCn1cnc2c1ncnc2N)OCCCOC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C)N)C
InChi: 1S/C35H45N6O9P/c1-4-24(2)29(36)35(44)48-18-19-50-51(45,23-46-17-14-41-22-40-30-32(37)38-21-39-33(30)41)49-16-9-15-47-34(43)25(3)27-12-8-13-28(20-27)31(42)26-10-6-5-7-11-26/h5-8,10-13,20-22,24-25,29H,4,9,14-19,23,36H2,1-3H3,(H2,37,38,39)/t24-,25?,29-,51?/m0/s1
InChiKey: IRMHZFZYZPUHRC-YMJBEVSLSA-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
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0108	0.0432
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.0083	0.5
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0209	0.0608	0.0608
Brugia malayi	MH1 domain containing protein	0.0029	0.0007	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0067	0.0268
Brugia malayi	MH2 domain containing protein	0.0771	0.249	1
Brugia malayi	TAR-binding protein	0.0118	0.0306	0.1229
Echinococcus multilocularis	smad	0.0053	0.0085	0.0085
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0058	0.0105	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.0083	0.0217
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0209	0.0608	0.1581
Leishmania major	DNA polymerase eta, putative	0.0058	0.0105	1
Brugia malayi	hypothetical protein	0.003	0.0011	0.0044
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0058	0.0105	0.0105
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.0083	0.0083
Brugia malayi	Latrophilin receptor protein 2	0.0042	0.0051	0.0204
Loa Loa (eye worm)	transcription factor SMAD2	0.0771	0.249	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0042	0.0051	0.0204
Schistosoma mansoni	hypothetical protein	0.0042	0.0051	0.0132
Brugia malayi	Smad1	0.0053	0.0085	0.0342
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.0083	0.0217
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0053	0.0085	0.0085
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.0105	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0083	0.0335
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0042	0.0051	0.0051
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0047	0.0067	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0058	0.0105	1
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0306	0.0796
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0306	0.0796
Trypanosoma cruzi	PAB1-binding protein , putative	0.0047	0.0067	0.6392
Leishmania major	hypothetical protein, conserved	0.0047	0.0067	0.6392
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0042	0.0051	0.0204
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0042	0.0051	0.0132
Brugia malayi	mbt repeat family protein	0.0052	0.0083	0.0335
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0051	0.0204
Brugia malayi	hypothetical protein	0.0047	0.0067	0.0268
Brugia malayi	MH1 domain containing protein	0.0029	0.0007	0.0027
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0058	0.0105	0.0272
Echinococcus multilocularis	Smad4	0.0053	0.0085	0.0085
Echinococcus granulosus	geminin	0.1176	0.3847	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0047	0.0067	1
Trypanosoma brucei	unspecified product	0.0058	0.0105	1
Schistosoma mansoni	hypothetical protein	0.1176	0.3847	1
Loa Loa (eye worm)	Smad1	0.0053	0.0085	0.0342
Brugia malayi	MH2 domain containing protein	0.0053	0.0085	0.0342
Echinococcus granulosus	mothers against decapentaplegic 5	0.0053	0.0085	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0007	0.0027
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0306	0.0796
Mycobacterium tuberculosis	Arylamine N-acetyltransferase Nat (arylamine acetylase)	0.2897	0.9611	1
Schistosoma mansoni	DNA polymerase eta	0.0058	0.0105	0.0272
Trypanosoma brucei	unspecified product	0.004	0.0044	0.4206
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0134	0.0357	0.1432
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0044	0.4206
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0058	0.0105	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0058	0.0105	0.042
Onchocerca volvulus		0.0052	0.0083	0.5
Loa Loa (eye worm)	RNA binding protein	0.0118	0.0306	0.1229
Echinococcus granulosus	tar DNA binding protein	0.0118	0.0306	0.0796
Echinococcus multilocularis	dna polymerase eta	0.0058	0.0105	0.0105
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0083	0.0217
Brugia malayi	MH1 domain containing protein	0.0053	0.0085	0.0342
Echinococcus granulosus	dna polymerase kappa	0.0058	0.0105	0.0272
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0059	0.0108	0.0432
Brugia malayi	MH1 domain containing protein	0.0053	0.0085	0.0342
Brugia malayi	RNA recognition motif domain containing protein	0.0118	0.0306	0.1229
Trypanosoma brucei	PAB1-binding protein , putative	0.0047	0.0067	0.6392
Echinococcus multilocularis	GPCR, family 2	0.0042	0.0051	0.0051
Echinococcus granulosus	dna polymerase eta	0.0058	0.0105	0.0272
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.0083	0.0217
Trypanosoma brucei	unspecified product	0.004	0.0044	0.4206
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0058	0.0105	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0051	0.0132
Echinococcus granulosus	histone acetyltransferase MYST2	0.0059	0.0108	0.028
Echinococcus granulosus	Smad4	0.0053	0.0085	0.0221
Schistosoma mansoni	hypothetical protein	0.0032	0.0016	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0044	0.4206
Echinococcus multilocularis	tar DNA binding protein	0.0118	0.0306	0.0306
Brugia malayi	latrophilin 2 splice variant baaae	0.0091	0.0215	0.0864
Brugia malayi	MH2 domain containing protein	0.0053	0.0085	0.0342
Schistosoma mansoni	hypothetical protein	0.0042	0.0051	0.0132
Loa Loa (eye worm)	MH1 domain-containing protein	0.0053	0.0085	0.0342
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0059	0.0108	0.028
Entamoeba histolytica	hypothetical protein	0.0032	0.0016	0.1567
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.2897	0.9611	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0032	0.0016	0.0016
Toxoplasma gondii	LsmAD domain-containing protein	0.0047	0.0067	1
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0059	0.0108	0.0108
Schistosoma mansoni	smad1 5 8 and	0.0053	0.0085	0.0221
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0058	0.0105	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.0083	0.0083
Brugia malayi	RNA binding protein	0.0118	0.0306	0.1229
Schistosoma mansoni	hypothetical protein	0.032	0.098	0.2549
Echinococcus multilocularis	geminin	0.1176	0.3847	0.3847
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0058	0.0105	0.042
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0032	0.0016	0.0043
Schistosoma mansoni	hypothetical protein	0.0091	0.0215	0.0559
Schistosoma mansoni	transcription factor LCR-F1	0.0032	0.0016	0.0043
Entamoeba histolytica	hypothetical protein	0.0032	0.0016	0.1567
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0306	0.0796
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0118	0.0306	0.1229
Trypanosoma brucei	DNA polymerase eta, putative	0.0058	0.0105	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Echinococcus granulosus	smad	0.0053	0.0085	0.0221
Loa Loa (eye worm)	MH2 domain-containing protein	0.0053	0.0085	0.0342
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0042	0.0051	0.0051
Schistosoma mansoni	smad1 5 8 and	0.0053	0.0085	0.0221
Entamoeba histolytica	hypothetical protein	0.0032	0.0016	0.1567
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0042	0.0051	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0105	0.042
Schistosoma mansoni	hypothetical protein	0.0042	0.0051	0.0132
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0058	0.0105	0.0272
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0134	0.0357	0.1432
Leishmania major	DNA polymerase kappa, putative	0.0058	0.0105	1
Schistosoma mansoni	smad1 5 8 and	0.0053	0.0085	0.0221
Schistosoma mansoni	smad	0.0053	0.0085	0.0221
Entamoeba histolytica	hypothetical protein	0.0032	0.0016	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0215	0.0864
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.0105	1
Schistosoma mansoni	tar DNA-binding protein	0.0118	0.0306	0.0796
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0059	0.0108	0.0108
Loa Loa (eye worm)	MH2 domain-containing protein	0.0771	0.249	1
Giardia lamblia	DINP protein human, muc B family	0.0058	0.0105	1
Brugia malayi	mbt repeat family protein	0.0052	0.0083	0.0335
Echinococcus granulosus	GPCR family 2	0.0042	0.0051	0.0132
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0053	0.0085	0.0085
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0083	0.0217
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Schistosoma mansoni	hypothetical protein	0.1176	0.3847	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0044	0.4206
Plasmodium vivax	ataxin-2 like protein, putative	0.0047	0.0067	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0058	0.0105	1
Echinococcus multilocularis	dna polymerase kappa	0.0058	0.0105	0.0105
Loa Loa (eye worm)	nuclear factor I	0.0029	0.0007	0.0027
Brugia malayi	hypothetical protein	0.0032	0.0016	0.0066
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0134	0.0357	0.1432
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.0105	1
Loa Loa (eye worm)	TAR-binding protein	0.0118	0.0306	0.1229
Schistosoma mansoni	Smad4	0.0053	0.0085	0.0221
Trypanosoma cruzi	PAB1-binding protein , putative	0.0047	0.0067	0.6392
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.0083	0.0335
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0053	0.0085	0.0221
Trypanosoma brucei	DNA polymerase IV, putative	0.0058	0.0105	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0059	0.0108	0.028
Loa Loa (eye worm)	MBCTL1	0.0059	0.0108	0.0432
Trypanosoma cruzi	DNA polymerase eta, putative	0.0058	0.0105	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0058	0.0105	0.042
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0058	0.0105	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0058	0.0105	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0058	0.0105	0.0272
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0053	0.0085	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0357	0.1432

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: CHEMBL1944995

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 1568149