TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 332.396 | Formula: C21H20N2O2
H donors: 0 H acceptors: 2 LogP: 3.74 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N1CCN(CC1)C1=CC(=O)c2c(C1=O)cccc2
InChi: 1S/C21H20N2O2/c1-15-6-8-16(9-7-15)22-10-12-23(13-11-22)19-14-20(24)17-4-2-3-5-18(17)21(19)25/h2-9,14H,10-13H2,1H3
InChiKey: WZHGXACVFYJGOS-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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Onchocerca volvulus		0.0122	0.2591	1
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0083	0.0824	0.0824
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0122	0.2591	1
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2591	0.2591
Echinococcus multilocularis	cysteine protease	0.0122	0.2591	0.5774
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Onchocerca volvulus	Cathepsin L homolog	0.0122	0.2591	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2591	0.5774
Plasmodium vivax	vivapain-2	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0164	0.4487	0.4487
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2591	0.2591
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Echinococcus multilocularis	cathepsin L cysteine protease	0.0122	0.2591	0.5774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Schistosoma mansoni	cathepsin F (C01 family)	0.0083	0.0824	0.0824
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0164	0.4487	0.4487
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0122	0.2591	0.2464
Loa Loa (eye worm)	glutaminase 2	0.0286	1	1
Echinococcus multilocularis	cathepsin b	0.0164	0.4487	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0122	0.2591	0.2591
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0164	0.4487	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Loa Loa (eye worm)	cysteine protease	0.0122	0.2591	0.2464
Onchocerca volvulus		0.0122	0.2591	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0122	0.2591	0.5774
Echinococcus granulosus	cathepsin l1	0.0083	0.0824	0.1837
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0164	0.4487	0.4487
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0824	0.0668
Entamoeba histolytica	cysteine proteinase, putative	0.0122	0.2591	1
Giardia lamblia	Cathepsin B precursor	0.0069	0.0168	0.5
Echinococcus granulosus	cathepsin b	0.0164	0.4487	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Loa Loa (eye worm)	ctsf protein	0.0122	0.2591	0.2464
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0069	0.0168	0.0647
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0164	0.4487	0.4487
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0122	0.2591	0.5774
Leishmania major	cysteine peptidase A (CPA)	0.0122	0.2591	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2591	0.2591
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2591	0.2464
Onchocerca volvulus		0.0122	0.2591	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0824	0.0668
Onchocerca volvulus	Cathepsin F homolog	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0122	0.2591	0.2591
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0122	0.2591	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.4487	0.4393
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Entamoeba histolytica	cysteine protease, putative	0.0122	0.2591	1
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Brugia malayi	Cathepsin L-like precursor	0.0083	0.0824	0.0824
Trypanosoma cruzi	cruzipain precursor, putative	0.0122	0.2591	0.5774
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2591	0.2591
Echinococcus multilocularis	cathepsin b	0.0164	0.4487	1
Loa Loa (eye worm)	fibroinase	0.0122	0.2591	0.2464
Giardia lamblia	Cathepsin B precursor	0.0069	0.0168	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Onchocerca volvulus		0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0083	0.0824	0.0824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0122	0.2591	1
Brugia malayi	Cathepsin L-like precursor	0.0083	0.0824	0.0824
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0083	0.0824	0.0824
Brugia malayi	cathepsin B-like cysteine proteinase	0.0164	0.4487	0.4487
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	glutaminase, putative	0.0286	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Schistosoma mansoni	glutaminase	0.0286	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2591	0.5774
Mycobacterium ulcerans	glutaminase	0.0286	1	0.5
Loa Loa (eye worm)	glutaminase	0.0286	1	1
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Echinococcus multilocularis	cysteine protease	0.0122	0.2591	0.5774
Toxoplasma gondii	cathepsin CPL	0.0122	0.2591	1
Onchocerca volvulus	Cathepsin L homolog	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0824	0.0668
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0083	0.0824	0.1837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Brugia malayi	Cathepsin L-like precursor	0.0122	0.2591	0.2591
Brugia malayi	Papain family cysteine protease containing protein	0.0122	0.2591	0.2591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Echinococcus granulosus	cathepsin b	0.0164	0.4487	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Giardia lamblia	Cathepsin B precursor	0.0069	0.0168	0.5
Onchocerca volvulus		0.0122	0.2591	1
Brugia malayi	cathepsin L-like precursor	0.0083	0.0824	0.0824
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0122	0.2591	0.2464
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0069	0.0168	0.0168
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0122	0.2591	0.2591
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0069	0.0168	0.0168
Entamoeba histolytica	cysteine proteinase, putative	0.0083	0.0824	0.3182
Echinococcus granulosus	cathepsin l1	0.0122	0.2591	0.5774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591
Leishmania major	cathepsin L-like protease	0.0122	0.2591	1
Plasmodium vivax	vivapain-2	0.0122	0.2591	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0122	0.2591	0.2591
Onchocerca volvulus		0.0122	0.2591	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2591	0.5774
Onchocerca volvulus		0.0122	0.2591	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.2591	0.5774
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0122	0.2591	0.5774
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0069	0.0168	0.0374
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0122	0.2591	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0122	0.2591	0.5774
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0122	0.2591	0.5774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0122	0.2591	0.2591

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 8.2 uM	Growth inhibition of human DU145 cells after 72 hrs by MTT assay	ChEMBL.	19632833

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19632833

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: CHEMBL1784138

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 1527842