TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.837 | Formula: C22H18ClNO2
H donors: 2 H acceptors: 2 LogP: 5.54 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)c(C)c(n2Cc1ccccc1Cl)c1ccc(cc1)O
InChi: 1S/C22H18ClNO2/c1-14-19-12-18(26)10-11-21(19)24(13-16-4-2-3-5-20(16)23)22(14)15-6-8-17(25)9-7-15/h2-12,25-26H,13H2,1H3
InChiKey: WNJSPQJLTNRPAX-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
Chlamydia trachomatis	glycogen phosphorylase	0.0788	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0547	0.4195
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0788	1	1
Schistosoma mansoni	DNA polymerase eta	0.0063	0.0522	0.0336
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0788	1	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.0193	0.0005
Echinococcus granulosus	glycogen phosphorylase	0.0788	1	1
Echinococcus granulosus	Glycosyl transferase family 35	0.0788	1	1
Mycobacterium leprae	Probable cytosol aminopeptidase PepB	0.0104	0.1059	0.6872
Echinococcus multilocularis	glycogen phosphorylase	0.0788	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0038	0.0193	0.0193
Plasmodium falciparum	M17 leucyl aminopeptidase	0.0104	0.1059	0.5
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.1541	1
Echinococcus multilocularis	glycogen phosphorylase	0.0788	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.1541	0.3713
Echinococcus multilocularis	dna polymerase eta	0.0063	0.0522	0.0341
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0193	0.0464
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0065	0.0547	0.0362
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0193	0.1518
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.1541	0.3713
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.0193	0.182
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.3475	0.3475
Giardia lamblia	Glycogen phosphorylase	0.0788	1	1
Trypanosoma brucei	unspecified product	0.0038	0.0193	0.1518
Leishmania major	cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17	0.0104	0.1059	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0341	0.4149	0.4149
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.0193	0.0193
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0038	0.0193	0.0464
Echinococcus granulosus	leucine aminopeptidase protein	0.0104	0.1059	0.0888
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Wolbachia endosymbiont of Brugia malayi	leucyl aminopeptidase	0.0104	0.1059	0.5
Echinococcus granulosus	glycogen phosphorylase	0.0788	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Entamoeba histolytica	glycogen phosphorylase, putative	0.0341	0.4149	0.4149
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Leishmania major	DNA polymerase kappa, putative	0.0038	0.0193	0.182
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0341	0.4149	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0065	0.0547	0.0367
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0788	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Leishmania major	DNA polymerase eta, putative	0.0037	0.0178	0.168
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.0193	0.0193
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0065	0.0547	0.0547
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Giardia lamblia	Fructose-bisphosphate aldolase	0.0289	0.3475	0.3347
Trypanosoma cruzi	metallo-peptidase, Clan MF, Family M17, putative	0.0104	0.1059	1
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.0193	0.0005
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0065	0.0547	0.0547
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Entamoeba histolytica	glycogen phosphorylase, putative	0.0788	1	1
Loa Loa (eye worm)	glycogen phosphorylase	0.0788	1	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0522	0.0522
Leishmania major	DNA polymerase eta, putative	0.0063	0.0522	0.4933
Trypanosoma brucei	DNA polymerase eta, putative	0.0063	0.0522	0.4746
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.0104	0.1059	0.2552
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0193	0.0168
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0547	0.4195
Trypanosoma cruzi	DNA polymerase eta, putative	0.0063	0.0522	0.391
Mycobacterium ulcerans	leucyl aminopeptidase	0.0104	0.1059	0.2552
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0788	1	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0289	0.3475	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0063	0.0522	0.0522
Schistosoma mansoni	glycogen phosphorylase	0.0341	0.4149	0.4035
Trypanosoma cruzi	cytosolic leucyl aminopeptidase, putative	0.0104	0.1059	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0065	0.0547	0.4992
Entamoeba histolytica	glycogen phosphorylase, putative	0.0788	1	1
Echinococcus multilocularis	leucine aminopeptidase protein	0.0104	0.1059	0.0888
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0065	0.0547	0.0547
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0193	0.1518
Echinococcus granulosus	dna polymerase eta	0.0063	0.0522	0.0341
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.0104	0.1059	0.5
Trypanosoma brucei	metallo-peptidase, Clan MF, Family M17	0.0104	0.1059	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.0193	0.0005
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0341	0.4149	1
Entamoeba histolytica	glycogenphosphorylase, putative	0.0341	0.4149	0.4149
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0038	0.0193	0.0464
Toxoplasma gondii	leucyl aminopeptidase LAP	0.0104	0.1059	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0193	0.0168
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0065	0.0547	0.0367
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.0193	0.0464
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.0193	0.1518
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3475	0.3347
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0193	0.0168
Schistosoma mansoni	glycogen phosphorylase	0.0788	1	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.0193	0.0168
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Schistosoma mansoni	glycogen phosphorylase	0.0788	1	1
Echinococcus granulosus	dna polymerase kappa	0.0038	0.0193	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.0193	0.1518
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.3475	0.3475
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0065	0.0547	0.517

Activities

Activity type	Activity value	Assay description	Source	Reference
RBA (binding)	= 8.7	Relative binding affinity for the calf uterine estrogen receptor by 17-beta-[3H]-estradiol displacement.	ChEMBL.	3806590

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 37528