TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 567.562 | Formula: C28H28F3N7O3
H donors: 3 H acceptors: 5 LogP: 3.48 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: C[C@@H](CNc1nccc(n1)n1ccnc1c1ccc(cc1)NC(=O)c1cc(cc(c1)C(F)(F)F)N1CCOCC1)O
InChi: 1S/C28H28F3N7O3/c1-18(39)17-34-27-33-7-6-24(36-27)38-9-8-32-25(38)19-2-4-22(5-3-19)35-26(40)20-14-21(28(29,30)31)16-23(15-20)37-10-12-41-13-11-37/h2-9,14-16,18,39H,10-13,17H2,1H3,(H,35,40)(H,33,34,36)/t18-/m0/s1
InChiKey: XCQOHJYGSBLSOW-SFHVURJKSA-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
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0059	0.0162
Schistosoma mansoni	hypothetical protein	0.0064	0.0405	0.0453
Entamoeba histolytica	hypothetical protein	0.0072	0.0501	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0059	0.0123
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0204	0.224	0.4693
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0204	0.224	0.4676
Echinococcus multilocularis	geminin	0.0689	0.8629	0.8626
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0059	0.0684
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.4774	0.5525
Onchocerca volvulus		0.024	0.2712	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0162	0.0308
Brugia malayi	beta-lactamase	0.0038	0.0059	0.0123
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0058	0.0049
Echinococcus multilocularis	tar DNA binding protein	0.0396	0.4774	0.4766
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0501	0.0486
Brugia malayi	hypothetical protein	0.0072	0.0501	0.1049
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0183	0.2628
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.0423	0.0408
Mycobacterium ulcerans	lipase LipD	0.0038	0.0059	0.5
Leishmania major	hypothetical protein, conserved	0.0052	0.0244	0.5605
Echinococcus granulosus	expressed protein	0.0048	0.0183	0.0195
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0162	0.017
Brugia malayi	beta-NAC-like protein	0.0035	0.0015	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0204	0.224	0.4676
Trichomonas vaginalis	set domain proteins, putative	0.024	0.2712	1
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0183	0.2628
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0059	0.1072
Brugia malayi	RNA recognition motif domain containing protein	0.0396	0.4774	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.0405	0.0391
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.4774	0.5525
Schistosoma mansoni	hypothetical protein	0.0064	0.0405	0.0453
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0083	0.0654	1
Brugia malayi	Pre-SET motif family protein	0.021	0.2329	0.4879
Schistosoma mansoni	hypothetical protein	0.0689	0.8629	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0059	0.0051
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.0423	1
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.4774	0.5525
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0162	0.0147
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0244	0.3574
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0405	0.082
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0059	0.0123
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.0423	0.8391
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.4774	0.5525
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0059	0.1072
Schistosoma mansoni	hypothetical protein	0.0083	0.0654	0.0742
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.0405	0.0391
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0162	0.0147
Trichomonas vaginalis	esterase, putative	0.0038	0.0059	0.0162
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.0423	0.0473
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.0405	0.0453
Echinococcus granulosus	tar DNA binding protein	0.0396	0.4774	0.5525
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0083	0.0654	1
Entamoeba histolytica	hypothetical protein	0.0072	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0059	0.0092
Toxoplasma gondii	TIM10 family protein, putative	0.0048	0.0183	0.2628
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0059	0.0051
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.0423	0.0885
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0162	0.0339
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0501	0.0564
Brugia malayi	TAR-binding protein	0.0396	0.4774	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0083	0.0654	0.1371
Echinococcus granulosus	geminin	0.0689	0.8629	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0204	0.224	0.4693
Schistosoma mansoni	hypothetical protein	0.0064	0.0405	0.0453
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.0083	0.0654	1
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0059	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0244	0.3574
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0059	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0059	0.0092
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.0423	0.0856
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0396	0.4774	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0244	0.2767	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.0405	0.0453
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0501	0.0564
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0162	0.017
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.0405	0.0849
Schistosoma mansoni	hypothetical protein	0.0064	0.0405	0.0453
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0059	0.0162
Schistosoma mansoni	hypothetical protein	0.0072	0.0501	0.0564
Echinococcus granulosus	GPCR family 2	0.0064	0.0405	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0059	0.0092
Loa Loa (eye worm)	TAR-binding protein	0.0396	0.4774	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.2329	0.4863
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0059	0.1072
Leishmania major	hypothetical protein, conserved	0.0038	0.0059	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0654	0.1343
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0059	0.0044
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0423	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0162	0.017
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0423	1
Toxoplasma gondii	ABC1 family protein	0.0038	0.0059	0.0684
Brugia malayi	hypothetical protein	0.0075	0.0548	0.1147
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0048	0.0183	0.0384
Brugia malayi	hypothetical protein	0.0052	0.0244	0.051
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0162	0.017
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0244	0.5605
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0423	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0059	0.0092
Brugia malayi	beta-lactamase family protein	0.0038	0.0059	0.0123
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.0405	0.082
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0244	0.5605
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.0423	0.0473
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0058	0.0043
Schistosoma mansoni	hypothetical protein	0.0039	0.0064	0.0057
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0244	0.3574
Schistosoma mansoni	tar DNA-binding protein	0.0396	0.4774	0.5525
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.0405	0.0849
Echinococcus multilocularis	GPCR, family 2	0.0064	0.0405	0.0391
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0059	0.0092
Entamoeba histolytica	hypothetical protein	0.0072	0.0501	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1391	0.2891
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0059	0.5
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0083	0.0654	0.1371
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0059	0.0092
Brugia malayi	hypothetical protein	0.0075	0.0548	0.1147
Schistosoma mansoni	hypothetical protein	0.0139	0.1391	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0244	0.048
Schistosoma mansoni	hypothetical protein	0.0689	0.8629	1
Loa Loa (eye worm)	RNA binding protein	0.0396	0.4774	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0059	0.0051
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0059	0.5
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0183	0.2628
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0059	0.0092
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0162	0.017
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.0083	0.0654	0.1371
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0059	0.0162
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.0048	0.0183	0.0353
Entamoeba histolytica	hypothetical protein	0.0072	0.0501	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0059	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0059	0.0092
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0059	0.5
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.0083	0.0654	0.064
Echinococcus multilocularis	expressed protein	0.0048	0.0183	0.0168
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0059	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0244	0.3574
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0059	0.0162
Brugia malayi	RNA binding protein	0.0396	0.4774	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0139	0.1391	0.2914
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0048	0.0183	0.0195
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0244	0.5605

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: CHEMBL1077211

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 1116310