TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 481.542 | Formula: C29H27N3O4
H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C1c2n[nH]c(c2C(N1CC1CCCO1)c1cccc(c1)OCc1ccccc1)c1ccccc1O
InChi: 1S/C29H27N3O4/c33-24-14-5-4-13-23(24)26-25-27(31-30-26)29(34)32(17-22-12-7-15-35-22)28(25)20-10-6-11-21(16-20)36-18-19-8-2-1-3-9-19/h1-6,8-11,13-14,16,22,28,33H,7,12,15,17-18H2,(H,30,31)
InChiKey: VFIYEWMKCORNQF-UHFFFAOYSA-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
Brugia malayi	hypothetical protein	0.0069	0.0328	0.0328
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0133	0.1236	0.2337
Trichomonas vaginalis	sulfite reductase, putative	0.0082	0.0514	0.0545
Giardia lamblia	Hypothetical protein	0.0072	0.0384	0.5
Plasmodium falciparum	plasmepsin I	0.0064	0.0264	0.0499
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0422	0.5287	1
Plasmodium vivax	flavodoxin domain containing protein	0.0072	0.0384	0.0726
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.024	0.2729	0.3419
Schistosoma mansoni	cathepsin D (A01 family)	0.0156	0.1555	0.2548
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0069	0.0328	0.0537
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0124	0.1104	0.1103
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0082	0.0514	0.0374
Trypanosoma brucei	ribonucleoside-diphosphate reductase large chain	0.0422	0.5287	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0505	0.0504
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0082	0.0514	0.0374
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0082	0.0514	0.0972
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Toxoplasma gondii	ribonucleoside-diphosphate reductase small subunit	0.0133	0.1236	0.1935
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0072	0.0384	0.0261
Plasmodium falciparum	plasmepsin IV	0.0064	0.0264	0.0499
Toxoplasma gondii	ribonucleoside-diphosphate reductase large chain	0.0422	0.5287	1
Loa Loa (eye worm)	aminopeptidase N	0.0069	0.0328	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0264	0.0263
Treponema pallidum	ribonucleotide-diphosphate reductase subunit alpha	0.0422	0.5287	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0069	0.0328	0.0621
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0069	0.0328	0.0537
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0082	0.0514	0.0972
Plasmodium falciparum	subtilisin-like protease 1	0.0175	0.1825	0.3451
Schistosoma mansoni	cytochrome P450 reductase	0.0082	0.0514	0.0842
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.183
Plasmodium falciparum	plasmepsin VI	0.0064	0.0264	0.0499
Mycobacterium tuberculosis	Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase)	0.014	0.1338	0.2545
Mycobacterium ulcerans	aminopeptidase N PepN	0.0069	0.0328	0.0677
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.005	0.0075	0.0122
Plasmodium vivax	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.2337
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0082	0.0514	0.106
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0082	0.0514	0.0374
Trypanosoma brucei	Aminopeptidase M1, putative	0.0069	0.0328	0.0621
Leishmania major	p450 reductase, putative	0.0082	0.0514	0.0374
Plasmodium falciparum	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.2337
Onchocerca volvulus		0.0069	0.0328	0.2236
Loa Loa (eye worm)	ribonucleoside-diphosphate reductase large subunit	0.0422	0.5287	0.5287
Echinococcus granulosus	ribonucleoside diphosphate reductase large	0.0422	0.5287	0.6715
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0082	0.0514	0.0566
Echinococcus multilocularis	ribonucleoside diphosphate reductase subunit	0.0133	0.1236	0.1495
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.183
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0055	0.0139	0.0138
Trypanosoma brucei	Aminopeptidase M1, putative	0.0069	0.0328	0.0621
Schistosoma mansoni	cathepsin D (A01 family)	0.0156	0.1555	0.2548
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0082	0.0514	0.0972
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0082	0.0514	0.0566
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain)	0.0133	0.1236	0.2328
Plasmodium vivax	subtilisin-like protease 1	0.0175	0.1825	0.3451
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0069	0.0328	0.0326
Trypanosoma cruzi	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.183
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Brugia malayi	ribonucleoside-diphosphate reductase large chain, putative	0.0422	0.5287	0.5287
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0064	0.0264	0.0243
Echinococcus multilocularis	aminopeptidase N	0.015	0.1466	0.1793
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0082	0.0514	0.0972
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0514	0.0513
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Brugia malayi	FAD binding domain containing protein	0.005	0.0075	0.0074
Mycobacterium ulcerans	hydrolase	0.0055	0.0139	0.0286
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0064	0.0264	0.0432
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0082	0.0514	0.0566
Brugia malayi	FAD binding domain containing protein	0.0082	0.0514	0.0513
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0164	0.1672	0.2058
Entamoeba histolytica	aminopeptidase, putative	0.0069	0.0328	0.5
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0082	0.0514	0.0513
Leishmania major	cytochrome P450 reductase, putative	0.0072	0.0384	0.0111
Schistosoma mansoni	ribonucleoside-diphosphate reductase small chain	0.0133	0.1236	0.2025
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0064	0.0264	0.0263
Schistosoma mansoni	hypothetical protein	0.0064	0.0266	0.0435
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0082	0.0514	0.0566
Onchocerca volvulus	Matrix metalloproteinase homolog	0.01	0.0773	0.5269
Onchocerca volvulus		0.015	0.1466	1
Brugia malayi	Peptidase family M1 containing protein	0.0069	0.0328	0.0328
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0139	0.0138
Plasmodium vivax	ribonucleoside-diphosphate reductase large chain, putative	0.0422	0.5287	1
Plasmodium vivax	plasmepsin IV, putative	0.0064	0.0264	0.0499
Onchocerca volvulus		0.0064	0.0266	0.1808
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0133	0.1236	0.2337
Brugia malayi	Kelch motif family protein	0.0124	0.1104	0.1103
Loa Loa (eye worm)	matrixin family protein	0.0109	0.09	0.0899
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0105	0.0843	0.0842
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0064	0.0264	0.0243
Leishmania major	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.183
Mycobacterium leprae	RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN)	0.0391	0.485	1
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain	0.0133	0.1236	0.2337
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)	0.0391	0.485	1
Onchocerca volvulus	Matrilysin homolog	0.01	0.0773	0.5269
Brugia malayi	Matrixin family protein	0.0109	0.09	0.0899
Wolbachia endosymbiont of Brugia malayi	ribonucleotide-diphosphate reductase subunit alpha	0.0391	0.485	1
Mycobacterium ulcerans	ribonucleotide-diphosphate reductase subunit alpha	0.0391	0.485	1
Echinococcus granulosus	ribonucleoside diphosphate reductase subunit	0.0133	0.1236	0.1495
Loa Loa (eye worm)	FAD binding domain-containing protein	0.005	0.0075	0.0074
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit beta	0.0133	0.1236	0.2227
Loa Loa (eye worm)	matrixin family protein	0.01	0.0773	0.0772
Loa Loa (eye worm)	integrin beta-2	0.0757	1	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1128	0.1128
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0082	0.0514	0.0972
Trypanosoma brucei	ribonucleoside-diphosphate reductase small chain, putative	0.0133	0.1236	0.2337
Brugia malayi	Hemopexin family protein	0.0064	0.0266	0.0265
Trypanosoma cruzi	p450 reductase, putative	0.0082	0.0514	0.0374
Trichomonas vaginalis	ribonucleoside-diphosphate reductase alpha chain, putative	0.0391	0.485	1
Plasmodium falciparum	ribonucleoside-diphosphate reductase large subunit, putative	0.0422	0.5287	1
Toxoplasma gondii	subtilisin SUB1	0.0175	0.1825	0.3107
Echinococcus multilocularis	ribonucleoside diphosphate reductase large	0.0422	0.5287	0.6715
Mycobacterium leprae	PROBABLE HYDROLASE	0.0055	0.0139	0.0286
Giardia lamblia	Nitric oxide synthase, inducible	0.0072	0.0384	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.024	0.2729	0.4473
Loa Loa (eye worm)	ribonucleotide reductase M2 B	0.0133	0.1236	0.1235
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0069	0.0328	0.0141
Plasmodium falciparum	plasmepsin II	0.0064	0.0264	0.0499
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0069	0.0328	0.0141
Schistosoma mansoni	integrin beta subunit	0.048	0.61	1
Brugia malayi	hypothetical protein	0.0124	0.1104	0.1103
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit alpha	0.0422	0.5287	1
Echinococcus multilocularis	integrin beta 2	0.0603	0.7837	1
Leishmania major	ribonucleoside-diphosphate reductase large chain, putative	0.0422	0.5287	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Schistosoma mansoni	ribonucleoside-diphosphate reductase alpha subunit	0.0422	0.5287	0.8668
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Plasmodium vivax	aspartyl proteinase, putative	0.0064	0.0264	0.0499
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0069	0.0328	0.0326
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.012	0.1049	0.1453
Plasmodium falciparum	nitric oxide synthase, putative	0.0082	0.0514	0.0972
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein)	0.0133	0.1236	0.2328
Schistosoma mansoni	memapsin-2 (A01 family)	0.0428	0.5373	0.8809
Brugia malayi	Peptidase family M1 containing protein	0.015	0.1466	0.1466
Brugia malayi	ribonucleotide reductase 2	0.0133	0.1236	0.1235
Echinococcus granulosus	integrin beta 2	0.0603	0.7837	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.024	0.2729	0.3419
Echinococcus granulosus	aminopeptidase N	0.015	0.1466	0.1793
Brugia malayi	flavodoxin family protein	0.0082	0.0514	0.0513
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0164	0.1672	0.2058
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0082	0.0514	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1104	0.1103

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

Search by Saint Jude

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 862442