TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 336.384 | Formula: C20H20N2O3
H donors: 0 H acceptors: 1 LogP: 1.73 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C[C@]23C=CCN4[C@@H]3[C@@]3(N1c1cc5OCOc5cc1[C@@H]3CC4)CC2
InChi: 1S/C20H20N2O3/c23-17-10-19-3-1-6-21-7-2-13-12-8-15-16(25-11-24-15)9-14(12)22(17)20(13,5-4-19)18(19)21/h1,3,8-9,13,18H,2,4-7,10-11H2/t13-,18-,19-,20+/m0/s1
InChiKey: DTBOGXTYLFTPCH-XCXWGBRNSA-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	heat shock protein, putative	0.002	0.0118	0.5
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0034	0.1118
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0044	0.0308	0.0308
Echinococcus multilocularis	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0009	0.0025	0.0796
Brugia malayi	Sex muscle abnormal protein 5	0.0009	0.0025	0.0796
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0025	0.0796
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Schistosoma mansoni	heat shock protein 70	0.002	0.0118	0.3817
Echinococcus granulosus	3'partial\|5'partial\|heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.0034	0.0034
Echinococcus multilocularis	heat shock protein	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein	0.002	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0044	0.0308	0.0308
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock protein 71 kDa protein	0.002	0.0118	0.0118
Leishmania major	heat-shock protein hsp70, putative	0.002	0.0118	0.5
Trypanosoma brucei	heat shock protein 70	0.002	0.0118	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0009	0.0025	0.0796
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0044	0.0308	0.0308
Echinococcus granulosus	tyrosine kinase	0.004	0.0274	0.0274
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0044	0.0308	0.0308
Entamoeba histolytica	heat shock protein 70 family	0.002	0.0118	0.4935
Giardia lamblia	Cytosolic HSP70	0.002	0.0118	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0039	0.0264	0.0264
Echinococcus multilocularis	sodium:nucleoside cotransporter 2	0.082	0.6506	0.6506
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0034	0.0034
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Trichomonas vaginalis	heat shock protein 70kD, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Trichomonas vaginalis	heat shock protein 70kD, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Srms	0.004	0.0274	0.0274
Echinococcus multilocularis	heat shock protein 70 related	0.002	0.0115	0.0115
Echinococcus multilocularis	concentrative Na+ nucleoside cotransporter	0.1257	1	1
Echinococcus multilocularis	heat shock protein 70 related	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0044	0.0308	0.0308
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0039	0.0264	0.0264
Entamoeba histolytica	heat shock protein 70, putative	0.002	0.0118	0.4935
Brugia malayi	SRC-1	0.0044	0.0308	1
Echinococcus granulosus	concentrative Na nucleoside cotransporter	0.1257	1	1
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.002	0.0118	0.4935
Trichomonas vaginalis	heat shock protein 70 (HSP70)-4, putative	0.002	0.0118	0.5
Echinococcus granulosus	Na+ dependent nucleoside transporter	0.1257	1	1
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 71 kDa protein	0.002	0.0118	0.0118
Leishmania major	heat-shock protein hsp70, putative	0.002	0.0118	0.5
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0044	0.0308	0.0308
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0044	0.0308	0.0308
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.002	0.0118	0.4935
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	Heat Shock protein family member (hsp 3)	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.002	0.0118	0.4935
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0009	0.0025	0.0796
Schistosoma mansoni	heat shock protein 70	0.002	0.0118	0.3817
Echinococcus multilocularis	heat shock protein kDa heat shock kDa protein	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Blk	0.004	0.0274	0.0274
Echinococcus granulosus	heat shock protein kDa	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Loa Loa (eye worm)	TK protein kinase	0.004	0.0274	0.8882
Echinococcus multilocularis	Heat shock protein 70 (HSP70)	0.002	0.0115	0.0115
Giardia lamblia	Bip	0.002	0.0118	0.5
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.0034	0.0034
Schistosoma mansoni	adapter molecule crk	0.0009	0.0025	0.0796
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0044	0.0308	0.0308
Echinococcus multilocularis	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Entamoeba histolytica	heat shock protein 70, putative	0.002	0.0118	0.4935
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0044	0.0308	0.0308
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Trypanosoma brucei	heat shock protein 70 (hsp70), putative	0.002	0.0118	0.5
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Echinococcus multilocularis	solute carrier family 28	0.1257	1	1
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.002	0.0118	0.3817
Plasmodium falciparum	heat shock protein 70	0.002	0.0118	0.5
Loa Loa (eye worm)	SRC-1	0.0044	0.0308	1
Plasmodium vivax	heat shock 70 kDa protein, putative	0.002	0.0118	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0044	0.0308	0.0308
Leishmania major	glucose-regulated protein 78, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.0308	0.0308
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Trypanosoma cruzi	glucose-regulated protein 78, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Trichomonas vaginalis	microsomal stress 70 protein ATPase core precursor, putative	0.002	0.0118	0.5
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.0308	0.0308
Echinococcus granulosus	growth factor receptor bound protein 2	0.0009	0.0025	0.0025
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0044	0.0308	0.0308
Trichomonas vaginalis	heat shock protein 70 (HSP70)-4, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Toxoplasma gondii	chaperonin protein BiP	0.002	0.0118	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.004	0.0274	0.0274
Entamoeba histolytica	heat shock protein 70 family	0.002	0.0118	0.4935
Echinococcus multilocularis	heat shock protein 70b	0.002	0.0118	0.0118
Trypanosoma brucei	heat shock 70 kDa protein, putative	0.002	0.0118	0.5
Echinococcus multilocularis	heat shock 70 kDa protein 1	0.002	0.0118	0.0118
Echinococcus multilocularis		0.002	0.0118	0.0118
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Echinococcus multilocularis	NCK adaptor protein	0.0009	0.0025	0.0025
Loa Loa (eye worm)	heat shock 70kDa protein 5	0.002	0.0118	0.3817
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0025	0.0796
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0009	0.0025	0.0025
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0238	0.0238
Plasmodium falciparum	heat shock protein 70	0.002	0.0118	0.5
Echinococcus multilocularis	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Entamoeba histolytica	heat shock protein 70, putative	0.002	0.0118	0.4935
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis		0.002	0.0118	0.0118
Echinococcus granulosus	heat shock kda protein	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0238	0.7735
Echinococcus multilocularis	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Trypanosoma brucei	luminal binding protein 1 (BiP), putative	0.002	0.0118	0.5
Schistosoma mansoni	heat shock protein 70	0.002	0.0118	0.3817
Echinococcus multilocularis	heat shock protein 70 related	0.002	0.0118	0.0118
Schistosoma mansoni	tyrosine kinase	0.001	0.0034	0.1118
Echinococcus multilocularis	heat shock 70 kDa protein 1A:1B	0.002	0.0118	0.0118
Trypanosoma cruzi	heat shock protein 70 (hsp70), putative	0.002	0.0118	0.5
Brugia malayi	heat shock 70 kDa protein C precursor	0.002	0.0118	0.3817
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock protein 70	0.002	0.0115	0.0115
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Entamoeba histolytica	70 kDa heat shock protein, putative	0.002	0.0118	0.4935
Trypanosoma brucei	luminal binding protein 1 (BiP), putative	0.002	0.0118	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0044	0.0308	0.0308
Brugia malayi	Variant SH3 domain containing protein	0.0009	0.0025	0.0796
Onchocerca volvulus		0.002	0.0118	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.004	0.0274	0.0274
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0025	0.0796
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Brugia malayi	protein-tyrosine kinase	0.004	0.0274	0.8882
Schistosoma mansoni	tyrosine kinase	0.0044	0.0308	1
Echinococcus multilocularis	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0044	0.0308	0.0308
Echinococcus granulosus	Heat Shock protein family member hsp 3	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock protein 71 kDa protein	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis		0.002	0.0118	0.0118
Schistosoma mansoni	growth factor receptor-bound protein	0.0009	0.0025	0.0796
Echinococcus multilocularis	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0044	0.0308	0.0308
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Plasmodium falciparum	heat shock protein 70	0.002	0.0118	0.5
Toxoplasma gondii	heat shock protein HSP70	0.002	0.0118	0.5
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0034	0.0034
Echinococcus granulosus	Heat shock 70 kDa protein	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock 70 kda protein 1a	0.002	0.0118	0.0118
Echinococcus granulosus	NCK adaptor protein	0.0009	0.0025	0.0025
Echinococcus granulosus	heat shock protein 70b	0.002	0.0118	0.0118
Schistosoma mansoni	tyrosine kinase	0.001	0.0034	0.1118
Trypanosoma cruzi	heat shock protein 70 (hsp70), putative	0.002	0.0118	0.5
Trichomonas vaginalis	heat shock protein 70 (HSP70)-4, putative	0.002	0.0118	0.5
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0034	0.0034
Schistosoma mansoni	nck2/grb4	0.0009	0.0025	0.0796
Leishmania major	heat shock protein 70-related protein	0.002	0.0118	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0044	0.0308	0.0308
Echinococcus multilocularis	heat shock protein 70 related	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	Heat shock 70 kDa protein 4	0.002	0.0118	0.0118
Entamoeba histolytica	heat shock protein70, hsp70A2, putative	0.002	0.0118	0.4935
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Entamoeba histolytica	heat shock protein 70, putative	0.002	0.0118	0.4935
Plasmodium vivax	heat shock protein 70, putative	0.002	0.0118	0.5
Entamoeba histolytica	protein kinase, putative	0.0036	0.0238	1
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0118	0.5
Brugia malayi	heat shock 70 kDa protein	0.002	0.0118	0.3817
Echinococcus granulosus	tyrosine protein kinase Blk	0.004	0.0274	0.0274
Echinococcus multilocularis	heat shock protein kDa heat shock kDa protein	0.002	0.0118	0.0118
Entamoeba histolytica	hypothetical protein	0.002	0.0118	0.4935
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock kda protein	0.002	0.0118	0.0118
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0034	0.1118
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Schistosoma mansoni	tyrosine kinase	0.0044	0.0308	1
Echinococcus granulosus	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus granulosus	heat shock protein 71 kDa protein	0.002	0.0118	0.0118
Echinococcus multilocularis	heat shock protein 70	0.002	0.0118	0.0118
Echinococcus multilocularis	Heat shock 70 kDa protein	0.002	0.0118	0.0118

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 200 ug ml-1	Inhibition of HIV1 RT	ChEMBL.	1710653
MIC (functional)	> 500 ug ml-1	Antimicrobial activity against Candida albicans after 24 hrs by microdilution technique	ChEMBL.	11975502
MIC (functional)	> 500 ug ml-1	Antimicrobial activity against Escherichia coli NCTC 9002 after 24 hrs by microdilution technique	ChEMBL.	11975502

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: CHEMBL516864

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 1012506