TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.469 | Formula: C25H23N3O2
H donors: 0 H acceptors: 1 LogP: 5.23 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(cc1)Oc1ccc(cc1)C
InChi: 1S/C25H23N3O2/c1-3-6-24-27-23-8-5-4-7-22(23)25(29)28(24)26-17-19-11-15-21(16-12-19)30-20-13-9-18(2)10-14-20/h4-5,7-17H,3,6H2,1-2H3/b26-17+
InChiKey: VKZGRTHOYXRTRJ-YZSQISJMSA-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, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0041	0.5475	0.779
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.5475	0.779
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Brugia malayi	brahma associated protein 60 kDa	0.0034	0.3016	0.3016
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Echinococcus multilocularis	cysteine protease	0.0046	0.7028	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.7028	1
Schistosoma mansoni	hypothetical protein	0.0034	0.3016	0.4291
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.7028	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.7028	0.7028
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.7028	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.7028	0.7028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0034	0.3016	0.4291
Schistosoma mansoni	hypothetical protein	0.0034	0.3016	0.4291
Brugia malayi	cathepsin L-like precursor	0.0031	0.2236	0.2236
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0034	0.3016	0.4291
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0046	0.7028	1
Onchocerca volvulus		0.0046	0.7028	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0046	0.7028	1
Schistosoma mansoni	hypothetical protein	0.0034	0.3016	0.4291
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Echinococcus granulosus	cathepsin l1	0.0046	0.7028	1
Onchocerca volvulus		0.0046	0.7028	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.5475	0.779
Trypanosoma cruzi	cruzipain precursor, putative	0.0046	0.7028	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0046	0.7028	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0046	0.7028	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.4473	0.2882
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0041	0.5475	0.6128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Brugia malayi	Cathepsin L-like precursor	0.0031	0.2236	0.2236
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.7028	0.7028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0046	0.7028	1
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Loa Loa (eye worm)	ctsf protein	0.0046	0.7028	0.6172
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0046	0.7028	0.6172
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0041	0.5475	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0034	0.3016	0.4291
Plasmodium vivax	vivapain-2	0.0046	0.7028	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0034	0.3016	0.4291
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0046	0.7028	1
Onchocerca volvulus	Cathepsin L homolog	0.0046	0.7028	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0041	0.5475	0.779
Onchocerca volvulus		0.0046	0.7028	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0034	0.3016	0.3016
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0034	0.3016	0.4291
Echinococcus granulosus	cathepsin l1	0.0031	0.2236	0.3182
Schistosoma mansoni	hypothetical protein	0.0038	0.4473	0.6365
Brugia malayi	Inositol-1	0.0041	0.5475	0.5475
Echinococcus multilocularis	SWI:SNF matrix associated	0.0034	0.3016	0.4291
Onchocerca volvulus	Cathepsin L homolog	0.0046	0.7028	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0046	0.7028	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0034	0.3016	0.4291
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0046	0.7028	1
Brugia malayi	brahma associated protein 60 kDa	0.0034	0.3016	0.3016
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.3016	0.4291
Loa Loa (eye worm)	brahma associated protein	0.0034	0.3016	0.1004
Brugia malayi	Cathepsin L-like precursor	0.0046	0.7028	0.7028
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.7028	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.4473	0.4473
Schistosoma mansoni	cathepsin F (C01 family)	0.0031	0.2236	0.3182
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0034	0.3016	0.4291
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0037	0.4118	0.5
Onchocerca volvulus		0.0046	0.7028	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0046	0.7028	1
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Schistosoma mansoni	inositol monophosphatase	0.0041	0.5475	0.779
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.7028	1
Onchocerca volvulus		0.0046	0.7028	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Leishmania major	cysteine peptidase A (CPA)	0.0046	0.7028	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0046	0.7028	1
Onchocerca volvulus		0.0034	0.3016	0.1627
Entamoeba histolytica	cysteine protease, putative	0.0046	0.7028	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0041	0.5475	0.779
Chlamydia trachomatis	DNA topoisomerase I	0.0034	0.3016	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.7028	0.6172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Chlamydia trachomatis	SWIB complex protein	0.0034	0.3016	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.7028	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Brugia malayi	Cathepsin L-like precursor	0.0031	0.2236	0.2236
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.2236	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Schistosoma mansoni	inositol monophosphatase	0.0041	0.5475	0.779
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.3016	0.4291
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.7028	1
Toxoplasma gondii	cathepsin CPL	0.0046	0.7028	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0046	0.7028	0.6172
Onchocerca volvulus	Cathepsin F homolog	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.7028	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Loa Loa (eye worm)	inositol-1	0.0041	0.5475	0.4171
Loa Loa (eye worm)	fibroinase	0.0046	0.7028	0.6172
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.2236	0.3182
Schistosoma mansoni	brg-1 associated factor	0.0034	0.3016	0.4291
Onchocerca volvulus		0.0046	0.7028	1
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Echinococcus granulosus	inositol monophosphatase 1	0.0041	0.5475	0.779
Onchocerca volvulus		0.0046	0.7028	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0037	0.4118	0.5
Brugia malayi	Cathepsin L-like precursor	0.0046	0.7028	0.7028
Plasmodium vivax	vivapain-2	0.0046	0.7028	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0034	0.3016	0.4291
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.5475	0.779
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0031	0.2236	0.3182
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0031	0.2236	0.2236
Echinococcus multilocularis	inositol monophosphatase 1	0.0041	0.5475	0.779
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.2236	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Echinococcus multilocularis	cysteine protease	0.0046	0.7028	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0034	0.3016	0.1004
Loa Loa (eye worm)	cysteine protease	0.0046	0.7028	0.6172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Leishmania major	cathepsin L-like protease	0.0046	0.7028	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.7028	0.7028
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0041	0.5475	0.5
Brugia malayi	Cathepsin L-like precursor	0.0046	0.7028	0.7028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.7028	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0041	0.5475	0.779
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.7028	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0046	0.7028	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 50 %	Anticonvulsant activity in CF1 mouse assessed as protection against 32 mA-current- for 3 secs induced seizure at 100 mg/kg, ip after 0.5 hr by 6Hz psychomotor seizure test	ChEMBL.	21306800

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: CHEMBL1761398

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 1510703