TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 276.715 | Formula: C15H13ClO3
H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1cc(C)ccc1Oc1ccc(cc1)Cl
InChi: 1S/C15H13ClO3/c1-10-2-7-14(11(8-10)9-15(17)18)19-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3,(H,17,18)
InChiKey: CZHASCLAFCARNW-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
Giardia lamblia	Kinase, CMGC MAPK	0.0103	0.9071	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.6062	0.6683
Brugia malayi	GCC2 and GCC3 family protein	0.0055	0.2806	0.2806
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0103	0.9071	0.9071
Echinococcus multilocularis	irregular chiasm roughest protein immunoglobulin set domain containing protein	0.008	0.6062	0.5962
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0103	0.9071	0.5
Echinococcus multilocularis	mitogen activated protein kinase	0.0103	0.9071	0.9048
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0102	0.8993	0.8993
Plasmodium vivax	apical sushi protein, putative	0.0041	0.1007	0.5
Echinococcus granulosus	C type lectin domian containing protein	0.0041	0.1007	0.0778
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1521	0.1676
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1521	0.1676
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.2495	0.275
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0102	0.8993	0.8993
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2806	0.2806
Schistosoma mansoni	c4b-binding protein beta chain	0.0041	0.1007	0.111
Trypanosoma brucei	protein kinase, putative	0.0103	0.9071	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0103	0.9071	0.5
Echinococcus granulosus	mitogen activated protein kinase	0.0103	0.9071	0.9048
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1521	0.1521
Onchocerca volvulus		0.0041	0.1007	0.5
Loa Loa (eye worm)	pregnancy-associated plasma protein-E	0.0041	0.1007	0.1007
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1521	0.1305
Echinococcus multilocularis	nephrin	0.008	0.6062	0.5962
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.011	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0103	0.9071	0.5
Onchocerca volvulus		0.0041	0.1007	0.5
Onchocerca volvulus		0.0041	0.1007	0.5
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1521	0.1305
Brugia malayi	hypothetical protein	0.0102	0.8993	0.8993
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0103	0.9071	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0103	0.9071	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0102	0.8993	0.8993
Schistosoma mansoni	serine/threonine protein kinase	0.0103	0.9071	1
Onchocerca volvulus		0.0041	0.1007	0.5
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0103	0.9071	0.5
Loa Loa (eye worm)	hypothetical protein	0.011	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1521	0.1305
Echinococcus granulosus	mitogen activated protein kinase 3	0.0103	0.9071	0.9048
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1521	0.1305
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1618	0.1618
Onchocerca volvulus		0.0041	0.1007	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.2056	0.2056
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Echinococcus granulosus	c4b binding protein beta chain	0.0041	0.1007	0.0778
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0103	0.9071	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2056	0.2056
Schistosoma mansoni	hypothetical protein	0.0036	0.0248	0.0273
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0103	0.9071	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0248	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0103	0.9071	0.5
Echinococcus granulosus	Immunoglobulin	0.008	0.6062	0.5962
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Echinococcus multilocularis	conserved hypothetical protein	0.008	0.6062	0.5962
Echinococcus granulosus	nephrin	0.008	0.6062	0.5962
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0248	0.0273
Brugia malayi	MAP kinase sur-1	0.0103	0.9071	0.9071
Brugia malayi	pregnancy-associated plasma protein-A	0.0041	0.1007	0.1007
Plasmodium falciparum	apical sushi protein	0.0041	0.1007	0.5
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Echinococcus multilocularis	c4b binding protein beta chain	0.0041	0.1007	0.0778
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.2056	0.2056
Schistosoma mansoni	hypothetical protein	0.0057	0.2984	0.3289
Schistosoma mansoni	hypothetical protein	0.008	0.6062	0.6683
Entamoeba histolytica	hypothetical protein	0.0036	0.0248	0.5
Brugia malayi	Sushi domain	0.0041	0.1007	0.1007
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.011	1	1
Echinococcus multilocularis	Immunoglobulin	0.008	0.6062	0.5962
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1521	0.1676
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1521	0.1521
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0103	0.9071	0.5
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Onchocerca volvulus		0.0041	0.1007	0.5
Onchocerca volvulus		0.0041	0.1007	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.2495	0.2304
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Brugia malayi	hypothetical protein	0.0041	0.1007	0.1007
Entamoeba histolytica	hypothetical protein	0.0036	0.0248	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0102	0.8993	0.8993
Echinococcus multilocularis	C type lectin domian containing protein	0.0041	0.1007	0.0778
Loa Loa (eye worm)	MBCTL1	0.0053	0.2495	0.2495
Brugia malayi	hypothetical protein	0.0036	0.0248	0.0248
Entamoeba histolytica	hypothetical protein	0.0036	0.0248	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Echinococcus granulosus	nephrin	0.008	0.6062	0.5962
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.2495	0.2304
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0103	0.9071	0.9048
Trichomonas vaginalis	CMGC family protein kinase	0.0103	0.9071	0.5
Echinococcus granulosus	irregular chiasm roughest protein	0.008	0.6062	0.5962
Trichomonas vaginalis	CMGC family protein kinase	0.0103	0.9071	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1007	0.1007
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.2056	0.2056
Onchocerca volvulus		0.0041	0.1007	0.5
Onchocerca volvulus		0.0041	0.1007	0.5
Onchocerca volvulus		0.0041	0.1007	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Reduction (functional)	= 9	Reduction in paw swelling at 100 mg/kg po dose in rat using adjuvant arthritis test.	ChEMBL.	6620297
Relative potency (functional)	= 0.7	Potency relative to [2-(2,4-Dichloro-phenoxy)-phenyl]-acetic acid in rat adjuvant arthritis test	ChEMBL.	6620297

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: CHEMBL26262

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 36360