TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 269.726 | Formula: C16H12ClNO
H donors: 1 H acceptors: 2 LogP: 4.38 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1Cc1ccc2c(c1O)nccc2
InChi: 1S/C16H12ClNO/c17-14-6-2-1-4-12(14)10-13-8-7-11-5-3-9-18-15(11)16(13)19/h1-9,19H,10H2
InChiKey: OZUGWWQUBUEQOD-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
Schistosoma mansoni	hypothetical protein	0.0056	0.1183	0.1183
Entamoeba histolytica	hypothetical protein	0.0042	0.0838	0.5
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0174	0.4053	0.402
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1333	0.0776
Brugia malayi	beta-lactamase	0.0044	0.0888	0.1287
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0121	0.2768	0.2388
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0531	0.0531
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.028	0.663	1
Trichomonas vaginalis	CMGC family protein kinase	0.0121	0.2768	0.3278
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1024	0.149
Echinococcus multilocularis	musashi	0.0029	0.0531	0.0531
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0121	0.2768	1
Brugia malayi	hypothetical protein	0.0274	0.6495	0.9803
Brugia malayi	intermediate filament protein	0.0029	0.0531	0.0745
Echinococcus granulosus	mitogen activated protein kinase	0.0121	0.2768	0.2768
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0888	0.1283
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1333	0.1333
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0044	0.0888	0.1283
Brugia malayi	hypothetical protein	0.0042	0.0838	0.121
Schistosoma mansoni	hypothetical protein	0.0206	0.4837	0.4837
Brugia malayi	beta-lactamase family protein	0.0044	0.0888	0.1287
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0537	0.0754
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0121	0.2768	0.2388
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0121	0.2768	0.2388
Echinococcus multilocularis	lamin dm0	0.0029	0.0531	0.0531
Echinococcus multilocularis	cpg binding protein	0.0031	0.0578	0.0578
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0044	0.0888	0.1287
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0151	0.0164
Echinococcus granulosus	cpg binding protein	0.0031	0.0578	0.0578
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0121	0.2768	0.2388
Onchocerca volvulus		0.0044	0.0888	0.5472
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0367	0.8761	1
Echinococcus granulosus	survival motor neuron protein 1	0.0274	0.6495	0.6495
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Schistosoma mansoni	cpg binding protein	0.0031	0.0578	0.0578
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.1333	0.0566
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1333	0.0776
Loa Loa (eye worm)	beta-lactamase	0.0044	0.0888	0.1283
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.1176	0.1533
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0838	0.0838
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0174	0.4053	0.402
Brugia malayi	beta-lactamase family protein	0.0044	0.0888	0.1287
Entamoeba histolytica	hypothetical protein	0.0042	0.0838	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0121	0.2768	0.2768
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0531	0.0741
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0052	0.1079	0.0243
Onchocerca volvulus		0.0044	0.0888	0.5472
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0121	0.2768	0.2388
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0063	0.1354	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0888	0.1283
Echinococcus granulosus	lamin	0.0029	0.0531	0.0531
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0202	0.0245
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0052	0.1079	0.0243
Brugia malayi	MAP kinase sur-1	0.0121	0.2768	0.4143
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.1333	0.1333
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.1333	0.1333
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.1183	0.1736
Onchocerca volvulus		0.0044	0.0888	0.5472
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0531	0.0745
Trichomonas vaginalis	CMGC family protein kinase	0.0121	0.2768	0.3278
Loa Loa (eye worm)	glutaminase 2	0.0279	0.6624	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1024	0.1024
Trichomonas vaginalis	CMGC family protein kinase	0.0121	0.2768	0.3278
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0193	0.453	0.6343
Schistosoma mansoni	cpg binding protein	0.0029	0.0537	0.0537
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0121	0.2768	0.2388
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1024	0.1024
Trichomonas vaginalis	glutaminase, putative	0.0279	0.6624	1
Leishmania major	mitochondrial DNA polymerase beta	0.0367	0.8761	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1024	0.1024
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1024	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0888	0.1283
Entamoeba histolytica	hypothetical protein	0.0042	0.0838	0.5
Schistosoma mansoni	hypothetical protein	0.0206	0.4837	0.4837
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0164	0.0184
Mycobacterium ulcerans	hypothetical protein	0.0193	0.453	0.635
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0888	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0418	1	1
Onchocerca volvulus		0.0056	0.1183	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0888	0.1283
Entamoeba histolytica	hypothetical protein	0.0042	0.0838	0.5
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0174	0.4053	0.402
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0121	0.2768	0.414
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0838	0.0838
Brugia malayi	glutaminase DH11.1	0.0279	0.6624	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0121	0.2768	0.2388
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.1333	0.0776
Echinococcus multilocularis	geminin	0.0206	0.4837	0.4837
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0838	0.0838
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.1333	0.0776
Schistosoma mansoni	lamin	0.0029	0.0531	0.0531
Schistosoma mansoni	survival motor neuron protein	0.0056	0.1183	0.1183
Mycobacterium leprae	Probable lipase LipE	0.0044	0.0888	0.5
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0537	0.075
Echinococcus multilocularis	survival motor neuron protein 1	0.0274	0.6495	0.6495
Schistosoma mansoni	glutaminase	0.0279	0.6624	0.6624
Trypanosoma brucei	protein kinase, putative	0.0121	0.2768	0.2388
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0044	0.0888	0.0888
Mycobacterium leprae	conserved hypothetical protein	0.0044	0.0888	0.5
Schistosoma mansoni	lamin	0.0029	0.0531	0.0531
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0367	0.8761	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.1333	0.2368
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0518	0.0721
Schistosoma mansoni	hypothetical protein	0.0418	1	1
Echinococcus granulosus	lamin dm0	0.0029	0.0531	0.0531
Echinococcus granulosus	beta LACTamase domain containing family member	0.0044	0.0888	0.0888
Trichomonas vaginalis	CMGC family protein kinase	0.0121	0.2768	0.3278
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0044	0.0888	0.0888
Echinococcus granulosus	mitogen activated protein kinase 3	0.0121	0.2768	0.2768
Toxoplasma gondii	hypothetical protein	0.0059	0.1264	0.2
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0151	0.0164
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1024	0.1494
Echinococcus multilocularis	lamin	0.0029	0.0531	0.0531
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0121	0.2768	0.2768
Onchocerca volvulus		0.0029	0.0537	0.0094
Loa Loa (eye worm)	glutaminase	0.0279	0.6624	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0888	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0531	0.0741
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0367	0.8761	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1024	0.1024
Loa Loa (eye worm)	hypothetical protein	0.0274	0.6495	0.9803
Mycobacterium ulcerans	glutaminase	0.0279	0.6624	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.1079	0.0243
Echinococcus multilocularis	mitogen activated protein kinase	0.0121	0.2768	0.2768
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0531	0.0741
Giardia lamblia	Kinase, CMGC MAPK	0.0121	0.2768	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0888	0.1283
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0052	0.1079	0.0243
Schistosoma mansoni	cpg binding protein	0.0031	0.0578	0.0578
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0044	0.0888	0.0888
Echinococcus granulosus	intermediate filament protein	0.0029	0.0531	0.0531
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1024	0.1024
Schistosoma mansoni	hypothetical protein	0.0042	0.0838	0.0838
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.1333	0.1333
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1024	0.1024
Echinococcus granulosus	geminin	0.0206	0.4837	0.4837
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0202	0.0241

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 100 %	Inhibition of yeast Hst2 assessed as residual activity at 500 uM by fluorimetric assay relative to control	ChEMBL.	19734050
Activity (binding)	= 100 %	Inhibition of yeast Hst2 assessed as residual activity at 50 uM by fluorimetric assay relative to control	ChEMBL.	19734050

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: CHEMBL609867

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 1105819