TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 254.281 | Formula: C16H14O3
H donors: 1 H acceptors: 1 LogP: 3.57 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1O)C1C=Cc2c(O1)cccc2
InChi: 1S/C16H14O3/c1-18-16-9-7-12(10-13(16)17)15-8-6-11-4-2-3-5-14(11)19-15/h2-10,15,17H,1H3
InChiKey: GWQIHJHKLREXKT-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	histone deacetylase 1, 2 ,3, putative	0.1251	0.2932	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1251	0.2932	1
Leishmania major	histone deacetylase, putative	0.1098	0.2558	0.8727
Leishmania major	histone deacetylase, putative	0.1098	0.2558	0.8727
Trypanosoma cruzi	histone deacetylase, putative	0.1098	0.2558	0.8725
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0473	0.1033	0.3512
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0282	0.0566	0.1917
Loa Loa (eye worm)	hypothetical protein	0.0556	0.1234	0.4199
Schistosoma mansoni	brca1-associated protein (brap2)	0.0064	0.0033	0.0097
Mycobacterium ulcerans	mycothiol conjugate amidase Mca	0.4145	1	0.5
Plasmodium falciparum	histone deacetylase, putative	0.1098	0.2558	0.8712
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0064	0.0033	0.0097
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0064	0.0033	0.0097
Echinococcus multilocularis	carbonic anhydrase II	0.0473	0.1033	0.3512
Brugia malayi	histone deacetylase 1 (HD1)	0.1251	0.2932	1
Brugia malayi	Histone deacetylase family protein	0.1098	0.2558	0.8725
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0064	0.0033	0.0097
Loa Loa (eye worm)	histone deacetylase 3	0.1251	0.2932	1
Brugia malayi	Histone deacetylase family protein	0.1098	0.2558	0.8725
Plasmodium vivax	histone deacetylase 2, putative	0.1098	0.2558	0.8712
Trypanosoma brucei	histone deacetylase, putative	0.1098	0.2558	0.8727
Plasmodium falciparum	histone deacetylase 2	0.1098	0.2558	0.8712
Trypanosoma cruzi	histone deacetylase, putative	0.0542	0.1201	0.4088
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0064	0.0033	0.0097
Trypanosoma brucei	histone deacetylase 4	0.1098	0.2558	0.8727
Echinococcus granulosus	histone deacetylase 8	0.0542	0.1201	0.4088
Echinococcus granulosus	u4:u6.u5 tri snrnp associated protein 2	0.0064	0.0033	0.0097
Giardia lamblia	Histone deacetylase	0.1251	0.2932	1
Brugia malayi	histone deacetylase 3 (HD3)	0.1251	0.2932	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1251	0.2932	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0086	0.0086	0.0184
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0473	0.1033	0.3512
Leishmania major	histone deacetylase, putative	0.1251	0.2932	1
Echinococcus multilocularis	histone deacetylase	0.1098	0.2558	0.8725
Plasmodium vivax	histone deacetylase, putative	0.1098	0.2558	0.8712
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 22	0.0064	0.0033	0.0097
Trypanosoma brucei	histone deacetylase 1	0.1251	0.2932	1
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0542	0.1201	1
Schistosoma mansoni	ubiquitin-specific peptidase 5 (C19 family)	0.0064	0.0033	0.0097
Echinococcus granulosus	carbonic anhydrase	0.0282	0.0566	0.1917
Trypanosoma cruzi	histone deacetylase, putative	0.1098	0.2558	0.8725
Loa Loa (eye worm)	BRCA1-associated protein 2 containing protein	0.0064	0.0033	0.0097
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0064	0.0033	0.0097
Schistosoma mansoni	brca1-associated protein (brap2)	0.0064	0.0033	0.0097
Loa Loa (eye worm)	hypothetical protein	0.1251	0.2932	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0473	0.1033	0.3512
Leishmania major	hypothetical protein, conserved	0.0064	0.0033	0.0112
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0064	0.0033	0.0112
Toxoplasma gondii	histone deacetylase HDAC1	0.1098	0.2558	0.8725
Loa Loa (eye worm)	ubiquitin specific peptidase 39	0.0064	0.0033	0.0097
Leishmania major	hypothetical protein, conserved	0.0064	0.0033	0.0112
Echinococcus granulosus	carbonic anhydrase	0.0282	0.0566	0.1917
Loa Loa (eye worm)	histone deacetylase 1	0.1251	0.2932	1
Echinococcus multilocularis	u4:u6.u5 tri snrnp associated protein 2	0.0064	0.0033	0.0097
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 5	0.0064	0.0033	0.0097
Loa Loa (eye worm)	histone deacetylase 7A	0.1098	0.2558	0.8725
Echinococcus granulosus	histone deacetylase 7	0.1098	0.2558	0.8725
Echinococcus multilocularis	histone deacetylase 6	0.1162	0.2715	0.926
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0282	0.0566	0.1917
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0473	0.1033	0.3512
Echinococcus granulosus	histone deacetylase 6	0.1098	0.2558	0.8725
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0064	0.0033	0.0097
Schistosoma mansoni	carbonic anhydrase	0.0282	0.0566	0.1917
Echinococcus granulosus	histone deacetylase 6	0.1098	0.2558	0.8725
Schistosoma mansoni	hypothetical protein	0.0282	0.0566	0.1917
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0064	0.0033	0.0097
Echinococcus multilocularis	histone deacetylase 8	0.0542	0.1201	0.4088
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0282	0.0566	0.1917
Schistosoma mansoni	histone deacetylase	0.1251	0.2932	1
Schistosoma mansoni	histone deacetylase	0.1251	0.2932	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0473	0.1033	0.3512
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0282	0.0566	0.1917
Echinococcus multilocularis	histone deacetylase 6	0.1098	0.2558	0.8725
Toxoplasma gondii	ubiquitin specific protease 39 isoform 2, putative	0.0064	0.0033	0.0097
Loa Loa (eye worm)	hypothetical protein	0.062	0.139	0.4734
Trypanosoma cruzi	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0064	0.0033	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0566	0.1917
Toxoplasma gondii	histone deacetylase HDAC2	0.1251	0.2932	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0473	0.1033	0.3512
Leishmania major	carbonic anhydrase-like protein	0.0473	0.1033	0.3522
Echinococcus granulosus	histone deacetylase 3	0.1251	0.2932	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0064	0.0033	0.0097
Trichomonas vaginalis	histone deacetylase, putative	0.1251	0.2932	1
Toxoplasma gondii	Zn-finger in ubiquitin-hydrolases domain-containing protein	0.0064	0.0033	0.0097
Mycobacterium tuberculosis	Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)	0.4098	0.9886	0.5
Schistosoma mansoni	histone deacetylase hda2	0.0542	0.1201	0.4088
Trichomonas vaginalis	histone deacetylase, putative	0.1251	0.2932	1
Echinococcus granulosus	BRCA1 associated protein	0.0064	0.0033	0.0097
Brugia malayi	BRCA1-associated protein 2 containing protein	0.0064	0.0033	0.0097
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0064	0.0033	0.0097
Toxoplasma gondii	histone deacetylase HDAC5	0.0542	0.1201	0.4088
Toxoplasma gondii	UBA/TS-N domain-containing protein	0.0064	0.0033	0.0097
Echinococcus multilocularis	carbonic anhydrase	0.0282	0.0566	0.1917
Schistosoma mansoni	histone deacetylase 4 5	0.1098	0.2558	0.8725
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0064	0.0033	0.0112
Trypanosoma brucei	carbonic anhydrase-like protein	0.0473	0.1033	0.3522
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0473	0.1033	0.3512
Leishmania major	histone deacetylase, putative	0.1251	0.2932	1
Trypanosoma brucei	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0064	0.0033	0.0112
Schistosoma mansoni	carbonic anhydrase-related	0.0282	0.0566	0.1917
Trichomonas vaginalis	histone deacetylase, putative	0.1251	0.2932	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0064	0.0033	0.0097
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0064	0.0033	0.0097
Schistosoma mansoni	histone deacetylase 1 2 3	0.0542	0.1201	0.4088
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0064	0.0033	0.0097
Trypanosoma cruzi	histone deacetylase, putative	0.1098	0.2558	0.8725
Trypanosoma brucei	histone deacetylase 2	0.0542	0.1201	0.4097
Giardia lamblia	Hypothetical protein	0.0064	0.0033	0.0112
Trichomonas vaginalis	histone deacetylase, putative	0.1251	0.2932	1
Plasmodium vivax	histone deacetylase 1, putative	0.1251	0.2932	1
Plasmodium falciparum	carbonic anhydrase	0.0282	0.0566	0.1838
Schistosoma mansoni	histone deacetylase hda2	0.1162	0.2715	0.926
Toxoplasma gondii	hypothetical protein	0.0282	0.0566	0.1917
Schistosoma mansoni	carbonic anhydrase-related	0.0282	0.0566	0.1917
Plasmodium falciparum	histone deacetylase 1	0.1251	0.2932	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0064	0.0033	0.0097
Plasmodium vivax	histone deacetylase, putative	0.0542	0.1201	0.403
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0064	0.0033	0.0097
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0064	0.0033	0.0112
Echinococcus granulosus	histone deacetylase 6	0.1162	0.2715	0.926
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0064	0.0033	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0282	0.0566	0.1917
Brugia malayi	histone deacetylase 11	0.0542	0.1201	0.4088
Echinococcus multilocularis	carbonic anhydrase	0.0282	0.0566	0.1917
Trypanosoma brucei	histone deacetylase 3	0.1098	0.2558	0.8727
Loa Loa (eye worm)	hypothetical protein	0.0883	0.2033	0.693
Toxoplasma gondii	hypothetical protein	0.0086	0.0086	0.0279
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0282	0.0566	0.1917
Echinococcus granulosus	histone deacetylase 1	0.1251	0.2932	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0064	0.0033	0.0097
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0473	0.1033	0.3512
Loa Loa (eye worm)	hypothetical protein	0.0542	0.1201	0.4088
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 22	0.0064	0.0033	0.0097
Schistosoma mansoni	carbonic anhydrase-related	0.0282	0.0566	0.1917
Toxoplasma gondii	histone deacetylase HDAC4	0.0542	0.1201	0.4088
Trypanosoma brucei	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0064	0.0033	0.0112
Echinococcus granulosus	carbonic anhydrase II	0.0473	0.1033	0.3512
Echinococcus granulosus	histone deacetylase	0.1098	0.2558	0.8725
Trypanosoma cruzi	histone deacetylase 1, putative	0.1251	0.2932	1
Echinococcus multilocularis	BRCA1 associated protein	0.0064	0.0033	0.0097
Trypanosoma cruzi	histone deacetylase, putative	0.0542	0.1201	0.4088
Echinococcus multilocularis	histone deacetylase 1	0.1251	0.2932	1
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0064	0.0033	0.0097
Brugia malayi	Histone deacetylase 1	0.1251	0.2932	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0282	0.0566	0.1917
Trichomonas vaginalis	histone deacetylase, putative	0.1251	0.2932	1
Trichomonas vaginalis	brca1-associated protein, putative	0.0064	0.0033	0.0097
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase 5, putative	0.0064	0.0033	0.0097
Echinococcus multilocularis	histone deacetylase 3	0.1251	0.2932	1
Loa Loa (eye worm)	histone deacetylase 11	0.0542	0.1201	0.4088
Schistosoma mansoni	histone deacetylase 4 5	0.1098	0.2558	0.8725
Schistosoma mansoni	ubiquitin-specific peptidase 44 (C19 family)	0.0064	0.0033	0.0097
Trichomonas vaginalis	histone deacetylase, putative	0.1251	0.2932	1
Toxoplasma gondii	histone deacetylase HDAC3	0.1251	0.2932	1
Trichomonas vaginalis	BRCA1-associated protein, putative	0.0064	0.0033	0.0097
Echinococcus multilocularis	histone deacetylase 7	0.1098	0.2558	0.8725
Trypanosoma cruzi	histone deacetylase 1, putative	0.1251	0.2932	1
Echinococcus granulosus	carbonic anhydrase	0.0282	0.0566	0.1917
Entamoeba histolytica	histone deacetylase, putative	0.1251	0.2932	1
Loa Loa (eye worm)	histone deacetylase	0.1098	0.2558	0.8725
Schistosoma mansoni	family C19 non-peptidase homologue (C19 family)	0.0064	0.0033	0.0097
Echinococcus multilocularis	carbonic anhydrase	0.0282	0.0566	0.1917
Echinococcus multilocularis	histone deacetylase 6	0.1098	0.2558	0.8725

Activities

Activity type	Assay description	Source	Reference
Activity (binding)	Agonist activity at mouse MC1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at mouse MC3 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human 5HT2C receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human A3 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human MC1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human NPY5 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human D5 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human MC3 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human C5a receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human MC4 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at mouse MC2 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human Glu receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human A1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human MCH1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human M1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human NMU1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human D1 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human orexin 2 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human A2a receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at mouse MC4 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human MC2 receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at human PTH receptor at 100 uM to 5 mM	ChEMBL.	25262941
Activity (binding)	Agonist activity at mouse MC5 receptor at 100 uM to 5 mM	ChEMBL.	25262941
EC50 (binding)	Agonist activity at human NMU2R transfected in HEK293 cells after 7 hrs by luciferase reporter gene assay	ChEMBL.	25262941

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: CHEMBL3343029

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 935426