TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 387.9 | Formula: C22H26ClNO3
H donors: 0 H acceptors: 1 LogP: 5.83 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C(=O)OC1CC2CCC(C1)N2C)Oc1ccc(c2c1cccc2)Cl
InChi: 1S/C22H26ClNO3/c1-3-20(22(25)26-16-12-14-8-9-15(13-16)24(14)2)27-21-11-10-19(23)17-6-4-5-7-18(17)21/h4-7,10-11,14-16,20H,3,8-9,12-13H2,1-2H3
InChiKey: MQPPTYXJDNPKKO-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	glucosylceramidase, putative	0.0164	0.4098	0.5867
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.4098	0.5867
Brugia malayi	intermediate filament protein	0.0028	0.0411	0.0558
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.3812	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0055	0.0085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0854	0.1971
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0784	0.1782
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.6433	1
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.6433	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0784	0.0771
Brugia malayi	beta-lactamase family protein	0.0042	0.0784	0.1143
Mycobacterium ulcerans	lipase LipD	0.0042	0.0784	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0854	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0784	0.1219
Schistosoma mansoni	lamin	0.0028	0.0411	0.0769
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0127	0.0198
Brugia malayi	beta-lactamase family protein	0.0042	0.0784	0.1143
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0688	0.0994
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0142	0.3502	0.3493
Schistosoma mansoni	hypothetical protein	0.0142	0.3502	0.9159
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0854	0.1971
Loa Loa (eye worm)	hypothetical protein	0.0056	0.116	0.1803
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.4338	0.6292
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.4098	0.5867
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.025	0.6433	1
Onchocerca volvulus		0.0056	0.116	0.2031
Brugia malayi	MH2 domain containing protein	0.0116	0.2801	0.4306
Onchocerca volvulus		0.0042	0.0784	0.1012
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0784	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0784	0.1219
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0411	0.0558
Echinococcus multilocularis	lamin dm0	0.0028	0.0411	0.0397
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0784	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.4098	0.5867
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0127	0.0114
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0784	0.5
Echinococcus granulosus	lamin	0.0028	0.0411	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0127	0.0198
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0784	0.0771
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0411	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0688	0.107
Schistosoma mansoni	cellular tumor antigen P53	0.0056	0.116	0.2802
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.4098	0.5867
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.6433	1
Leishmania major	hypothetical protein, conserved	0.0042	0.0784	0.5
Echinococcus granulosus	GPCR family 2	0.0018	0.0127	0.0114
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.3812	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.4338	0.6292
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.2801	0.4355
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0154	0.3812	0.3803
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0784	0.1219
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0142	0.3502	0.3493
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0784	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.025	0.6433	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0397	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0411	0.0639
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0784	0.1219
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0784	0.1219
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0784	0.5
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0784	0.1219
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.6927	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0164	0.4098	1
Schistosoma mansoni	lamin	0.0028	0.0411	0.0769
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.1172	0.1752
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0854	0.1253
Onchocerca volvulus		0.0042	0.0784	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0014	0.0022
Schistosoma mansoni	hypothetical protein	0.0039	0.0688	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0784	0.1219
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.4098	0.5867
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0854	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0784	0.1219
Echinococcus multilocularis	tumor protein p63	0.0382	1	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0411	0.0769
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0127	0.0114
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0127	0.0114
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.4098	0.5867
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0784	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0854	0.1971
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0127	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0056	0.1172	0.1822
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0784	0.5
Echinococcus granulosus	intermediate filament protein	0.0028	0.0411	0.0397
Onchocerca volvulus		0.0042	0.0784	0.1012
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.6433	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0411	0.0639
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.1172	0.1822
Toxoplasma gondii	ABC1 family protein	0.0042	0.0784	0.5
Brugia malayi	beta-lactamase	0.0042	0.0784	0.1143
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0784	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0127	0.0114
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0127	0.0114
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.2801	0.4355
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0784	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0854	0.0841
Echinococcus multilocularis	musashi	0.0028	0.0411	0.0397
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0784	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0127	0.0114
Echinococcus granulosus	lamin dm0	0.0028	0.0411	0.0397
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0784	0.1782
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0854	0.1327
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0784	0.1143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0854	0.0841
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.6433	1
Trichomonas vaginalis	glucosylceramidase, putative	0.025	0.6433	1
Echinococcus multilocularis	lamin	0.0028	0.0411	0.0397
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.1172	0.1752

Activities

No activities found for this compound.

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: CHEMBL1199858

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 1164540