TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 453.532 | Formula: C28H27N3O3
H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=O)C1c2ccccc2C(=O)N(C1c1cn(c2c1cccc2)C)C
InChi: 1S/C28H27N3O3/c1-4-34-19-15-13-18(14-16-19)29-27(32)25-21-10-5-6-11-22(21)28(33)31(3)26(25)23-17-30(2)24-12-8-7-9-20(23)24/h5-17,25-26H,4H2,1-3H3,(H,29,32)
InChiKey: ANJDZPLTNAMRKC-UHFFFAOYSA-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)	histone methyltransferase	0.0011	0.0025	0.0056
Echinococcus granulosus	muscleblind protein	0.0145	0.1697	0.1697
Brugia malayi	hypothetical protein	0.0039	0.0372	0.093
Echinococcus multilocularis	thymidylate synthase	0.0327	0.3977	0.3977
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0233	0.2802	0.2802
Onchocerca volvulus		0.0279	0.3365	0.8343
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0115	0.0284
Brugia malayi	beta-lactamase family protein	0.0075	0.0825	0.207
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0327	0.3977	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0115	0.0284
Plasmodium vivax	multidomain scavenger receptor, putative	0.0039	0.0372	0.0114
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0115	0.0115
Brugia malayi	Doublecortin family protein	0.0039	0.0372	0.093
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0825	0.207
Schistosoma mansoni	microtubule-associated protein tau	0.0809	1	1
Brugia malayi	hypothetical protein	0.0039	0.0372	0.093
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0615	0.1541
Onchocerca volvulus		0.0058	0.0609	0.0875
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0115	0.0284
Echinococcus granulosus	thymidylate synthase	0.0327	0.3977	0.3977
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0305	0.0305
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0115	0.0115
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.033	0.033
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0481	0.5897	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0075	0.0825	0.207
Loa Loa (eye worm)	hypothetical protein	0.004	0.0384	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0372	0.093
Brugia malayi	Pre-SET motif family protein	0.0036	0.033	0.0826
Echinococcus multilocularis	microtubule associated protein 2	0.0809	1	1
Echinococcus granulosus	cpg binding protein	0.0034	0.0309	0.0309
Brugia malayi	beta-lactamase family protein	0.0075	0.0825	0.207
Schistosoma mansoni	hypothetical protein	0.0018	0.0115	0.0115
Schistosoma mansoni	hypothetical protein	0.0039	0.0372	0.0372
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0327	0.3977	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0156	0.1831	0.3192
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0615	0.1541
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0327	0.3977	0.6214
Mycobacterium ulcerans	thymidylate synthase	0.0327	0.3977	1
Echinococcus multilocularis	cpg binding protein	0.0034	0.0309	0.0309
Echinococcus granulosus	Smad4	0.0009	0.0002	0.0002
Plasmodium vivax	hypothetical protein, conserved	0.0075	0.0825	0.1357
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0615	0.1541
Loa Loa (eye worm)	thymidylate synthase	0.0327	0.3977	1
Onchocerca volvulus		0.0075	0.0825	0.146
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.0662	0.091
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.033	0.033
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.162	0.407
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0372	0.0372
Echinococcus granulosus	dnaJ subfamily B	0.0458	0.5612	0.5612
Schistosoma mansoni	loxhd1	0.0039	0.0372	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0372	0.093
Schistosoma mansoni	hypothetical protein	0.019	0.2257	0.2257
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0002	0.0002
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0002	0.0002
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0115	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0771	0.0771
Schistosoma mansoni	lipoxygenase	0.0163	0.1924	0.1924
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0825	0.0825
Echinococcus granulosus	RUN	0.0039	0.0372	0.0372
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.0771	0.1935
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0771	0.0771
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.0372	0.0372
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0023	0.0052
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0286	0.0714
Brugia malayi	TAR-binding protein	0.0071	0.0771	0.1935
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0075	0.0825	0.0825
Echinococcus granulosus	smad	0.0009	0.0002	0.0002
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0327	0.3977	1
Onchocerca volvulus		0.0327	0.3977	1
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0327	0.3977	0.3977
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.0771	0.1935
Onchocerca volvulus		0.0039	0.0372	0.0232
Loa Loa (eye worm)	beta-lactamase	0.0075	0.0825	0.207
Schistosoma mansoni	rab6-interacting	0.0039	0.0372	0.0372
Schistosoma mansoni	hypothetical protein	0.019	0.2257	0.2257
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.033	0.033
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0825	0.207
Brugia malayi	MH2 domain containing protein	0.0139	0.162	0.407
Echinococcus granulosus	geminin	0.019	0.2257	0.2257
Echinococcus multilocularis	Smad4	0.0009	0.0002	0.0002
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0115	0.0115
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0327	0.3977	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.033	0.033
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.0372	0.0372
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0327	0.3977	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0825	0.207
Brugia malayi	RNA binding protein	0.0071	0.0771	0.1935
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0771	0.0771
Echinococcus granulosus	GPCR family 2	0.0018	0.0115	0.0115
Brugia malayi	Pre-SET motif family protein	0.0245	0.2944	0.7401
Echinococcus granulosus	beta LACTamase domain containing family member	0.0075	0.0825	0.0825
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0372	0.0372
Echinococcus granulosus	tar DNA binding protein	0.0071	0.0771	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0036	0.033	0.0826
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0245	0.2944	0.7401
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0233	0.2802	0.2802
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0075	0.0825	0.0825
Echinococcus granulosus	tumor protein p63	0.0396	0.4837	0.4837
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0609	0.1527
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1697	0.4263
Schistosoma mansoni	cpg binding protein	0.0034	0.0309	0.0309
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.0609	0.0609
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0458	0.5612	0.5612
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0115	0.0115
Schistosoma mansoni	Smad4	0.0009	0.0002	0.0002
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.033	0.033
Mycobacterium tuberculosis	Hypothetical protein	0.0156	0.1831	0.1983
Echinococcus multilocularis	muscleblind protein	0.0145	0.1697	0.1697
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0384	0.0959
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0372	0.0372
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.1697	0.1697
Schistosoma mansoni	hypothetical protein	0.004	0.0384	0.0384
Schistosoma mansoni	hypothetical protein	0.0018	0.0115	0.0115
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0372	0.0372
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0286	0.0714
Trichomonas vaginalis	set domain proteins, putative	0.0279	0.3365	1
Onchocerca volvulus		0.0039	0.0372	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0825	0.207
Onchocerca volvulus		0.0075	0.0825	0.146
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.0372	0.093
Schistosoma mansoni	cpg binding protein	0.0032	0.0286	0.0286
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.162	0.407
Onchocerca volvulus		0.0036	0.033	0.012
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.0753	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1697	0.4263
Echinococcus multilocularis	RUN	0.0039	0.0372	0.0372
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.033	0.033
Schistosoma mansoni	lipoxygenase	0.0233	0.2802	0.2802
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0771	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0825	0.207
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0002	0.0002
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0615	0.1541
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0327	0.3977	1
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0115	0.0284
Schistosoma mansoni	polycystin 1-related	0.0039	0.0372	0.0372
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0075	0.0825	0.207
Schistosoma mansoni	hypothetical protein	0.0018	0.0115	0.0115
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.0771	0.1935
Trichomonas vaginalis	conserved hypothetical protein	0.0156	0.1831	0.396
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0327	0.3977	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.033	0.033
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.0771	0.0771
Echinococcus multilocularis	geminin	0.019	0.2257	0.2257
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.0771	0.0771
Loa Loa (eye worm)	RNA binding protein	0.0071	0.0771	0.1935
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0002	0.0002
Echinococcus multilocularis	dnaJ subfamily B	0.0458	0.5612	0.5612
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0025	0.0025
Echinococcus multilocularis	smad	0.0009	0.0002	0.0002
Echinococcus multilocularis	tumor protein p63	0.0396	0.4837	0.4837
Onchocerca volvulus		0.0075	0.0825	0.146
Brugia malayi	Muscleblind-like protein	0.0145	0.1697	0.4263
Schistosoma mansoni	smad	0.0009	0.0002	0.0002
Toxoplasma gondii	ABC1 family protein	0.0075	0.0825	0.1357
Brugia malayi	hypothetical protein	0.0156	0.1831	0.4601
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0025	0.0025
Brugia malayi	thymidylate synthase	0.0327	0.3977	1
Schistosoma mansoni	rab6-interacting	0.0039	0.0372	0.0372
Schistosoma mansoni	cpg binding protein	0.0034	0.0309	0.0309
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0825	0.207
Brugia malayi	beta-lactamase	0.0075	0.0825	0.207
Schistosoma mansoni	hypothetical protein	0.0018	0.0115	0.0115

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 796821