TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 502.606 | Formula: C32H30N4O2
H donors: 1 H acceptors: 1 LogP: 6.62 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: O=C1c2ccccc2NC2(N1c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1)CCCCC2
InChi: 1S/C32H30N4O2/c37-31-26-12-5-6-13-27(26)33-32(19-7-2-8-20-32)35(31)24-17-15-23(16-18-24)28-22-29(30-14-9-21-38-30)36(34-28)25-10-3-1-4-11-25/h1,3-6,9-18,21,29,33H,2,7-8,19-20,22H2
InChiKey: VDBWPWGDPRKCPX-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
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0978	0.0283
Echinococcus granulosus	cathepsin l1	0.0034	0.0788	0.0788
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0788	0.806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Entamoeba histolytica	cysteine protease, putative	0.0034	0.0788	0.806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0034	0.0788	0.5
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0978	1
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0978	0.0206
Onchocerca volvulus	Cathepsin F homolog	0.0034	0.0788	0.1542
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0117	0.6697	0.8824
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Leishmania major	cathepsin L-like protease	0.0128	0.7485	1
Echinococcus granulosus	tar DNA binding protein	0.0127	0.7421	0.7421
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.7421	0.885
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1953	0.1953
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.0788	0.0788
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.7485	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0978	1
Plasmodium vivax	vivapain-2	0.0034	0.0788	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0788	0.0788
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0034	0.0788	0.0788
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0978	0.0978
Schistosoma mansoni	hypothetical protein	0.0034	0.083	0.099
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0788	0.0788
Onchocerca volvulus		0.0034	0.0788	0.1542
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0788	0.806
Onchocerca volvulus		0.0034	0.0788	0.1542
Onchocerca volvulus		0.0034	0.0788	0.1542
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0978	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.7485	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0978	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0034	0.0788	0.0788
Onchocerca volvulus		0.0034	0.0788	0.1542
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0034	0.0788	0.806
Loa Loa (eye worm)	RNA binding protein	0.0127	0.7421	0.7421
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0034	0.0788	0.5
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0978	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Leishmania major	cathepsin L-like protease	0.0128	0.7485	1
Onchocerca volvulus	Cathepsin L homolog	0.0034	0.0788	0.1542
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0978	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Schistosoma mansoni	alpha-glucosidase	0.0141	0.8385	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0034	0.0788	0.0788
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.7421	0.885
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0788	0.0788
Brugia malayi	TAR-binding protein	0.0127	0.7421	0.7421
Schistosoma mansoni	alpha glucosidase	0.0036	0.0978	0.1166
Loa Loa (eye worm)	hypothetical protein	0.0034	0.083	0.083
Schistosoma mansoni	alpha-glucosidase	0.0141	0.8385	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0788	0.094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Trypanosoma cruzi	major cysteine proteinase, putative	0.0101	0.5542	0.7098
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1953	0.1953
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Loa Loa (eye worm)	hypothetical protein	0.005	0.1953	0.1953
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0788	0.094
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.7421	0.885
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0978	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0034	0.0788	0.0788
Loa Loa (eye worm)	ctsf protein	0.0034	0.0788	0.0788
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0788	0.0788
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0978	0.0283
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0788	0.0788
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.7421	0.7201
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0978	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0128	0.7485	1
Onchocerca volvulus		0.0095	0.5111	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0034	0.0788	0.806
Onchocerca volvulus		0.0034	0.0788	0.1542
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.7421	0.7421
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.7421	0.885
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.7421	0.7421
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.7421	0.7421
Leishmania major	cathepsin L-like protease	0.0128	0.7485	1
Onchocerca volvulus	Cathepsin L homolog	0.0034	0.0788	0.1542
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0978	1
Onchocerca volvulus		0.0034	0.0788	0.1542
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0978	1
Loa Loa (eye worm)	fibroinase	0.0034	0.0788	0.0788
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0978	0.0978
Brugia malayi	RNA binding protein	0.0127	0.7421	0.7421
Trypanosoma cruzi	cruzipain precursor, putative	0.0128	0.7485	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0034	0.0788	0.5
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0978	0.0283
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0978	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0788	0.0788
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0788	0.0788
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.0788	0.806
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.7421	0.885
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.083	0.083
Onchocerca volvulus		0.0034	0.0788	0.1542
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Plasmodium vivax	vivapain-2	0.0034	0.0788	0.5
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0978	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1953	0.1953
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Loa Loa (eye worm)	cysteine protease	0.0034	0.0788	0.0788
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0128	0.7485	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0788	0.806
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0978	0.0978

Activities

Activity type	Activity value	Assay description	Source	Reference
Time (functional)	= 9.2 s	Analgesic activity in mouse assessed as reaction time administered 1 hr before test measured after 1 hr by hot plate test	ChEMBL.	20137837
Time (functional)	= 10.9 s	Analgesic activity in mouse assessed as reaction time administered 1 hr before test measured after 2 hrs by hot plate test	ChEMBL.	20137837

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: CHEMBL1163782

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 1137804