TDR Targets

Basic information

Technical information

TDR Targets ID: 880188
Name: Oprea1_018243
MW: 311.375 | Formula: C19H21NO3
H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)NC(=O)COC(=O)CCc1ccccc1
InChi: 1S/C19H21NO3/c1-2-15-8-11-17(12-9-15)20-18(21)14-23-19(22)13-10-16-6-4-3-5-7-16/h3-9,11-12H,2,10,13-14H2,1H3,(H,20,21)
InChiKey: AXLOSMIPUIBMOD-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

ST5195649
ZINC02615828

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)	hypothetical protein	0.0095	0.0595	0.0328
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Giardia lamblia	Hypothetical protein	0.014	0.1057	0.0931
Brugia malayi	cell division control protein 2 homolog	0.0267	0.2389	0.2173
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0998	1	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.0267	0.2389	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2074	0.185
Echinococcus multilocularis	roundabout 2	0.0095	0.0595	0.0462
Trichomonas vaginalis	CMGC family protein kinase	0.0267	0.2389	0.2377
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Echinococcus granulosus	defective proboscis extension response	0.0095	0.0595	0.0462
Echinococcus granulosus	cyclin dependent kinase 1	0.0267	0.2389	0.2282
Echinococcus granulosus	cyclins	0.014	0.1057	0.0931
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0267	0.2389	0.2173
Loa Loa (eye worm)	hypothetical protein	0.0237	0.2074	0.185
Echinococcus multilocularis	cyclin dependent kinase	0.0267	0.2389	0.2282
Schistosoma mansoni	vesicular amine transporter	0.0095	0.0595	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0897	0.0639
Trichomonas vaginalis	cyclin B3, putative	0.014	0.1057	0.1043
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0237	0.2074	0.1963
Leishmania major	cyclin	0.0237	0.2074	0.1963
Trypanosoma cruzi	cyclin, putative	0.0237	0.2074	0.2074
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Echinococcus multilocularis	heat shock protein 90	0.0065	0.0276	0.0139
Giardia lamblia	Kinase, CMGC GSK	0.0998	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0051	0.0139	0.0123
Trichomonas vaginalis	cyclin B, putative	0.014	0.1057	0.1043
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0998	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0051	0.0139	0.0123
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0267	0.2389	0.2282
Trichomonas vaginalis	cyclins, putative	0.0237	0.2074	0.2062
Trypanosoma cruzi	heat shock protein 85, putative	0.0051	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Trypanosoma cruzi	cdc2-related kinase 3	0.0267	0.2389	0.2389
Trypanosoma brucei	protein kinase, putative	0.0998	1	1
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0101	0.0655	0.039
Schistosoma mansoni	serine/threonine protein kinase	0.0267	0.2389	0.2173
Giardia lamblia	G2/mitotic-specific cyclin B	0.0237	0.2074	0.1963
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0577	0.5616	0.5554
Echinococcus granulosus	cyclins	0.014	0.1057	0.0931
Entamoeba histolytica	protein kinase domain containing protein	0.0101	0.0655	0.039
Trypanosoma cruzi	heat shock protein 85, putative	0.0065	0.0276	0.0276
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Trichomonas vaginalis	cyclins, putative	0.0237	0.2074	0.2062
Trichomonas vaginalis	cyclin A, putative	0.0237	0.2074	0.2062
Giardia lamblia	Kinase, CMGC GSK	0.0998	1	1
Echinococcus multilocularis	neuroglian	0.0095	0.0595	0.0462
Trichomonas vaginalis	CMGC family protein kinase	0.0998	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0577	0.5616	0.5491
Echinococcus multilocularis	cyclin dependent kinase 1	0.0267	0.2389	0.2282
Entamoeba histolytica	protein kinase, putative	0.0998	1	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0998	1	1
Plasmodium vivax	protein kinase Crk2	0.0267	0.2389	0.2173
Echinococcus granulosus	cyclins	0.014	0.1057	0.0931
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Trichomonas vaginalis	cyclin B, putative	0.0237	0.2074	0.2062
Entamoeba histolytica	protein kinase, putative	0.0101	0.0655	0.039
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0267	0.2389	0.2282
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Trichomonas vaginalis	heat shock protein, putative	0.0051	0.0139	0.0123
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Giardia lamblia	Kinase, CMGC CDK	0.0267	0.2389	0.2282
Brugia malayi	hypothetical protein	0.0124	0.0897	0.0639
Trichomonas vaginalis	cyclins, putative	0.0237	0.2074	0.2062
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0101	0.0655	0.0524
Echinococcus multilocularis	cyclin dependent kinase 1	0.0267	0.2389	0.2282
Echinococcus multilocularis	cyclin B	0.0237	0.2074	0.1963
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0237	0.2074	0.185
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Trichomonas vaginalis	cyclin D, putative	0.014	0.1057	0.1043
Toxoplasma gondii	hypothetical protein	0.0106	0.0706	0.0442
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0259	0.2306	0.2088
Echinococcus multilocularis	cyclin B3 1	0.014	0.1057	0.0931
Echinococcus granulosus	protein kinase shaggy	0.0998	1	1
Giardia lamblia	Cyclin A	0.014	0.1057	0.0931
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0237	0.2074	0.2074
Echinococcus granulosus	cyclin B3 1	0.014	0.1057	0.0931
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0259	0.2306	0.2088
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0095	0.0595	0.0462
Echinococcus granulosus	cyclin dependent kinase 5	0.0267	0.2389	0.2282
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Echinococcus granulosus	twitchin	0.0108	0.0728	0.0597
Trypanosoma cruzi	heat shock protein 90, putative	0.0051	0.0139	0.0139
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0237	0.2074	0.185
Plasmodium falciparum	protein kinase 5	0.0267	0.2389	0.2377
Loa Loa (eye worm)	cyclin domain-containing protein	0.0577	0.5616	0.5491
Echinococcus granulosus	cyclins	0.014	0.1057	0.0931
Trypanosoma cruzi	cyclin, putative	0.0237	0.2074	0.2074
Trypanosoma cruzi	heat shock protein 85, putative	0.0065	0.0276	0.0276
Trypanosoma brucei	cdc2-related kinase 1	0.0267	0.2389	0.2173
Schistosoma mansoni	serine/threonine protein kinase	0.0101	0.0655	0.039
Echinococcus granulosus	cyclin b3	0.014	0.1057	0.0931
Echinococcus granulosus	roundabout 2	0.0095	0.0595	0.0462
Mycobacterium ulcerans	heat shock protein 90	0.0051	0.0139	0.5
Echinococcus granulosus	cyclin dependent kinase	0.0267	0.2389	0.2282
Echinococcus multilocularis	dual specificity	0.0101	0.0655	0.0524
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0101	0.0655	0.0655
Echinococcus granulosus	neuroglian	0.0095	0.0595	0.0462
Echinococcus multilocularis	Immunoglobulin	0.0095	0.0595	0.0462
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0259	0.2306	0.2198
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0095	0.0595	0.0328
Schistosoma mansoni	cyclin B3	0.0577	0.5616	0.5491
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0998	1	1
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0259	0.2306	0.2198
Schistosoma mansoni	nephrin	0.0095	0.0595	0.0328
Entamoeba histolytica	hypothetical protein	0.0101	0.0655	0.039
Brugia malayi	Protein kinase domain containing protein	0.0101	0.0655	0.039
Trichomonas vaginalis	cyclins, putative	0.014	0.1057	0.1043
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0104	0.0685	0.0421
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0104	0.0685	0.0421
Trypanosoma cruzi	Heat shock protein 83, putative	0.0065	0.0276	0.0276
Trypanosoma cruzi	heat shock protein 90, putative	0.0065	0.0276	0.0276
Trichomonas vaginalis	cyclins, putative	0.0131	0.0971	0.0957
Trichomonas vaginalis	CMGC family protein kinase	0.0998	1	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0998	1	1
Echinococcus granulosus	dual specificity	0.0101	0.0655	0.0524
Schistosoma mansoni	cell adhesion molecule	0.0095	0.0595	0.0328
Trypanosoma cruzi	cdc2-related kinase 3	0.0267	0.2389	0.2389
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0065	0.0276	0.0139
Entamoeba histolytica	protein kinase domain containing protein	0.0998	1	1
Onchocerca volvulus		0.0998	1	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0095	0.0595	0.0462
Trichomonas vaginalis	cyclin D, putative	0.014	0.1057	0.1043
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0267	0.2389	0.2282
Entamoeba histolytica	cyclin family protein	0.014	0.1057	0.0803
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0267	0.2389	0.2173
Brugia malayi	Protein kinase domain containing protein	0.0267	0.2389	0.2173
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0998	1	1
Echinococcus multilocularis	heat shock protein	0.0065	0.0276	0.0139
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Trypanosoma brucei	cdc2-related kinase 3	0.0267	0.2389	0.2173
Plasmodium falciparum	cyclin	0.014	0.1057	0.1043
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Trichomonas vaginalis	CMGC family protein kinase	0.0267	0.2389	0.2377
Trypanosoma brucei	mitotic cyclin 6	0.0237	0.2074	0.185
Trichomonas vaginalis	conserved hypothetical protein	0.014	0.1057	0.1043
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0101	0.0655	0.0655
Trypanosoma cruzi	cyclin 6, putative	0.0237	0.2074	0.2074
Trypanosoma cruzi	cdc2-related kinase 1	0.0267	0.2389	0.2389
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0998	1	1
Brugia malayi	Fibronectin type III domain containing protein	0.0095	0.0595	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0897	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0522	0.0253
Echinococcus granulosus	heat shock protein	0.0065	0.0276	0.0139
Trichomonas vaginalis	cyclin B, putative	0.0237	0.2074	0.2062
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0095	0.0595	0.0328
Schistosoma mansoni	cyclins	0.014	0.1057	0.0803
Entamoeba histolytica	cell division protein kinase 2, putative	0.0267	0.2389	0.2173
Trichomonas vaginalis	cyclin B, putative	0.0237	0.2074	0.2062
Echinococcus multilocularis	protein kinase shaggy	0.0998	1	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0998	1	1
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Echinococcus granulosus	cyclin B	0.0237	0.2074	0.1963
Trichomonas vaginalis	CMGC family protein kinase	0.0267	0.2389	0.2377
Entamoeba histolytica	protein kinase domain containing protein	0.0998	1	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0595	0.0328
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Entamoeba histolytica	cyclin, putative	0.0237	0.2074	0.185
Treponema pallidum	heat shock protein 90	0.0051	0.0139	0.5
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0051	0.0139	0.5
Entamoeba histolytica	cyclin family protein	0.014	0.1057	0.0803
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Echinococcus granulosus	cyclins	0.014	0.1057	0.0931
Brugia malayi	hypothetical protein	0.0095	0.0595	0.0328
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0051	0.0139	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0065	0.0276	0.0261
Echinococcus multilocularis	cyclin dependent kinase 5	0.0267	0.2389	0.2282
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0522	0.0253
Trypanosoma cruzi	cdc2-related kinase 1	0.0267	0.2389	0.2389
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0267	0.2389	0.2173
Trichomonas vaginalis	cyclin B, putative	0.0237	0.2074	0.2062
Loa Loa (eye worm)	hypothetical protein	0.0098	0.062	0.0354
Entamoeba histolytica	protein kinase, putative	0.0101	0.0655	0.039
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0267	0.2389	0.2173
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0998	1	1
Echinococcus multilocularis	Immunoglobulin	0.0095	0.0595	0.0462
Trypanosoma cruzi	heat shock protein 85, putative	0.0065	0.0276	0.0276
Echinococcus multilocularis	cyclin b3	0.014	0.1057	0.0931
Entamoeba histolytica	cyclin, putative	0.014	0.1057	0.0803
Giardia lamblia	Kinase, CMGC CDK	0.0267	0.2389	0.2282
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0101	0.0655	0.039
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0051	0.0139	0.5
Echinococcus granulosus	Immunoglobulin	0.0095	0.0595	0.0462
Echinococcus multilocularis	cyclins	0.014	0.1057	0.0931
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Schistosoma mansoni	cyclin B	0.0237	0.2074	0.185
Plasmodium falciparum	glycogen synthase kinase 3	0.0998	1	1
Leishmania major	heat shock protein 83-1	0.0065	0.0276	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2256	0.2037
Schistosoma mansoni	serine/threonine protein kinase	0.0267	0.2389	0.2173
Plasmodium falciparum	heat shock protein 90	0.0065	0.0276	0.0261
Echinococcus granulosus	heat shock protein 90	0.0065	0.0276	0.0139
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0577	0.5616	0.5554
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0095	0.0595	0.0328
Trichomonas vaginalis	cyclins, putative	0.0237	0.2074	0.2062

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 880188