TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.54 | Formula: C26H30N4O5
H donors: 0 H acceptors: 3 LogP: 3.28 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: COCCCn1c(CN2C(=O)/C(=N/OCCCCOC(=O)C)/c3c2cccc3)nc2c1cccc2
InChi: 1S/C26H30N4O5/c1-19(31)34-16-7-8-17-35-28-25-20-10-3-5-12-22(20)30(26(25)32)18-24-27-21-11-4-6-13-23(21)29(24)14-9-15-33-2/h3-6,10-13H,7-9,14-18H2,1-2H3/b28-25+
InChiKey: AGBCTQQPZFXYEY-AZPGRJICSA-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	tar DNA binding protein	0.0397	0.4925	0.4904
Brugia malayi	beta-lactamase	0.0079	0.0708	0.1338
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0097	0.0945	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0106	0.0102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0087	0.0304
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0097	0.0945	0.1825
Trypanosoma cruzi	target of rapamycin kinase 3	0.0077	0.0682	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0631	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0708	0.1338
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0046	0.0264	0.207
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0708	0.1338
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0033	0.0087	0.003
Brugia malayi	MH2 domain containing protein	0.0374	0.4625	0.9384
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0033	0.0087	0.003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Giardia lamblia	GTOR	0.0097	0.0945	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0087	0.0304
Mycobacterium leprae	Probable lipase LipE	0.0079	0.0708	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0397	0.4925	0.4896
Mycobacterium ulcerans	lipase LipD	0.0079	0.0708	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0708	0.7238
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0708	0.1338
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0383	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0708	0.1338
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.035	0.1227
Schistosoma mansoni	hypothetical protein	0.0034	0.0106	0.005
Brugia malayi	beta-lactamase family protein	0.0079	0.0708	0.1338
Leishmania major	hypothetical protein, conserved	0.0079	0.0708	0.7238
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0708	0.2483
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0106	0.005
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0383	0.067
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0097	0.0945	0.0907
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.1084	0.211
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.0708	0.0669
Schistosoma mansoni	hypothetical protein	0.0034	0.0106	0.005
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0097	0.0945	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0681	0.2388
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0351	0.1231
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0425	0.1492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0681	0.2388
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.0631	0.1181
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0425	0.1492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0097	0.0945	0.3315
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0106	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1084	0.211
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.0708	0.1338
Loa Loa (eye worm)	RNA binding protein	0.0397	0.4925	1
Echinococcus multilocularis	microtubule associated protein 2	0.0779	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0097	0.0945	1
Onchocerca volvulus		0.0055	0.0383	0.1168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0417	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0106	0.0102
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0708	0.2483
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.0708	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0087	0.0304
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0097	0.0945	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0681	0.2388
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0106	0.005
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0033	0.0087	0.0062
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.0708	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.1084	0.211
Echinococcus multilocularis	tar DNA binding protein	0.0397	0.4925	0.4896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0681	0.2388
Brugia malayi	RNA recognition motif domain containing protein	0.0397	0.4925	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0083	0.0756	0.2653
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0077	0.0682	0.6934
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0097	0.0945	1
Onchocerca volvulus		0.0079	0.0708	0.2332
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0072	0.0614	0.8559
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0351	0.1231
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0351	0.1231
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2462	0.4942
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0507	0.6389	1
Onchocerca volvulus		0.0241	0.285	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.035	0.1227
Schistosoma mansoni	tar DNA-binding protein	0.0397	0.4925	0.4896
Loa Loa (eye worm)	MH2 domain-containing protein	0.0374	0.4625	0.9384
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.0708	0.1338
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0106	0.0102
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0708	0.2483
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0106	0.005
Brugia malayi	beta-lactamase family protein	0.0079	0.0708	0.1338
Loa Loa (eye worm)	TAR-binding protein	0.0397	0.4925	1
Mycobacterium ulcerans	hypothetical protein	0.0079	0.0708	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0397	0.4925	0.4896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0087	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0077	0.0681	0.2388
Brugia malayi	Pre-SET motif family protein	0.0212	0.2462	0.4942
Loa Loa (eye worm)	transcription factor SMAD2	0.0374	0.4625	0.9384
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.0708	0.7238
Schistosoma mansoni	hypothetical protein	0.0034	0.0106	0.005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0417	0.1465
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0708	0.7238
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0708	0.0655
Schistosoma mansoni	hypothetical protein	0.0034	0.0106	0.005
Onchocerca volvulus		0.0079	0.0708	0.2332
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0033	0.0087	0.0045
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0708	0.0655
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0079	0.0708	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0779	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0033	0.0087	0.0062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.035	0.1227
Brugia malayi	RNA binding protein	0.0397	0.4925	1
Onchocerca volvulus		0.0079	0.0708	0.2332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0097	0.0945	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0241	0.285	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0087	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0708	0.1338
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0106	0.0102
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0708	0.2483
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0097	0.0945	0.0894
Schistosoma mansoni	tar DNA-binding protein	0.0397	0.4925	0.4896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0425	0.1492
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0077	0.0682	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0351	0.1231
Echinococcus granulosus	GPCR family 2	0.0034	0.0106	0.0065
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0097	0.0945	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0056	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0708	0.1338
Schistosoma mansoni	tar DNA-binding protein	0.0397	0.4925	0.4896
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0097	0.0945	0.3315
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.1084	0.211
Trichomonas vaginalis	esterase, putative	0.0079	0.0708	0.2483
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0097	0.0945	0.3315
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0397	0.4925	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0097	0.0945	0.0894
Echinococcus multilocularis	tumor protein p63	0.0375	0.4636	0.4606
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0708	0.2483
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0614	0.2154
Echinococcus granulosus	tumor protein p63	0.0375	0.4636	0.4614
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0492	0.1726
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.0708	0.0655
Brugia malayi	TAR-binding protein	0.0397	0.4925	1
Toxoplasma gondii	ABC1 family protein	0.0079	0.0708	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0065	0.052	0.1823
Loa Loa (eye worm)	phosphatidylinositol 3	0.0097	0.0945	0.1825
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.004	0.019	0.1204
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0106	0.0065
Schistosoma mansoni	hypothetical protein	0.0074	0.0631	0.0578
Mycobacterium ulcerans	beta-lactamase	0.0079	0.0708	0.5
Loa Loa (eye worm)	beta-lactamase	0.0079	0.0708	0.1338
Mycobacterium ulcerans	esterase/lipase LipP	0.0079	0.0708	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0097	0.0945	1

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: CHEMBL557048

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 1058083