TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 479.01 | Formula: C28H31ClN2O3
H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)COC(c1ccccc1)(CN1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1)C
InChi: 1S/C28H31ClN2O3/c1-28(34-20-26(32)33,24-10-6-3-7-11-24)21-30-16-18-31(19-17-30)27(22-8-4-2-5-9-22)23-12-14-25(29)15-13-23/h2-15,27H,16-21H2,1H3,(H,32,33)
InChiKey: VVJIKXBYSLHFIH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0041	0.0041
Schistosoma mansoni	hypothetical protein	0.0034	0.0311	0.0271
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.1263	0.1263
Onchocerca volvulus		0.0051	0.0576	1
Loa Loa (eye worm)	carboxylesterase	0.0303	0.4353	1
Echinococcus multilocularis	acetylcholinesterase	0.0303	0.4353	0.4353
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0311	0.0669
Brugia malayi	Carboxylesterase family protein	0.0051	0.0576	0.128
Echinococcus granulosus	neuroligin	0.0051	0.0576	0.0576
Onchocerca volvulus		0.0051	0.0576	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0347	0.0307
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0544	0.1207
Schistosoma mansoni	lamin	0.0027	0.0206	0.0166
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.1263	0.1263
Schistosoma mansoni	gliotactin	0.0051	0.0576	0.0537
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0051	0.0576	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0206	0.0473
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0206	0.0166
Brugia malayi	Carboxylesterase family protein	0.0051	0.0576	0.128
Brugia malayi	hypothetical protein	0.0051	0.0576	0.128
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0051	0.0576	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.1263	0.1263
Echinococcus multilocularis	acetylcholinesterase	0.0303	0.4353	0.4353
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0041	0.0041
Echinococcus multilocularis	lamin	0.0027	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Echinococcus granulosus	GPCR family 2	0.0016	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0041	0.0094
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0347	0.0347
Schistosoma mansoni	BC026374 protein (S09 family)	0.0051	0.0576	0.0537
Onchocerca volvulus		0.0051	0.0576	1
Schistosoma mansoni	lamin	0.0027	0.0206	0.0166
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.1263	0.1227
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0041	0.0041
Echinococcus granulosus	muscleblind protein	0.017	0.2354	0.2354
Echinococcus granulosus	lamin dm0	0.0027	0.0206	0.0206
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0544	0.1207
Brugia malayi	hypothetical protein	0.0036	0.0347	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0206	0.0473
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0021	0.0049
Echinococcus multilocularis	microtubule associated protein 2	0.068	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0051	0.0576	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Loa Loa (eye worm)	hypothetical protein	0.017	0.2354	0.5408
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0051	0.0576	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0544	0.125
Loa Loa (eye worm)	carboxylesterase	0.0051	0.0576	0.1323
Echinococcus multilocularis	para nitrobenzyl esterase	0.0051	0.0576	0.0576
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0041	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0041	0.0045
Echinococcus multilocularis	musashi	0.0027	0.0206	0.0206
Brugia malayi	Carboxylesterase family protein	0.0051	0.0576	0.128
Schistosoma mansoni	microtubule-associated protein tau	0.068	1	1
Echinococcus granulosus	acetylcholinesterase	0.0303	0.4353	0.4353
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0051	0.0576	0.0576
Loa Loa (eye worm)	carboxylesterase	0.0051	0.0576	0.1323
Echinococcus multilocularis	carboxylesterase 5A	0.0303	0.4353	0.4353
Echinococcus granulosus	BC026374 protein S09 family	0.0051	0.0576	0.0576
Entamoeba histolytica	hypothetical protein	0.0036	0.0347	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0311	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Brugia malayi	hypothetical protein	0.01	0.131	0.2975
Loa Loa (eye worm)	hypothetical protein	0.01	0.131	0.3009
Brugia malayi	Carboxylesterase family protein	0.0303	0.4353	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.1263	0.2902
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0544	0.125
Loa Loa (eye worm)	acetylcholinesterase 1	0.0303	0.4353	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0199	0.0457
Loa Loa (eye worm)	hypothetical protein	0.017	0.2354	0.5408
Echinococcus multilocularis	muscleblind protein	0.017	0.2354	0.2354
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0347	0.0347
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.1263	0.1227
Echinococcus multilocularis	lamin dm0	0.0027	0.0206	0.0206
Brugia malayi	intermediate filament protein	0.0027	0.0206	0.0427
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0041	0.0094
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0051	0.0576	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0206	0.0473
Mycobacterium ulcerans	carboxylesterase, LipT	0.0051	0.0576	0.5
Loa Loa (eye worm)	hypothetical protein	0.0303	0.4353	1
Echinococcus granulosus	lamin	0.0027	0.0206	0.0206
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0347	0.0307
Schistosoma mansoni	acetylcholinesterase	0.0051	0.0576	0.0537
Entamoeba histolytica	hypothetical protein	0.0036	0.0347	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0051	0.0576	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.1263	0.1263
Echinococcus multilocularis	neuroligin	0.0051	0.0576	0.0576
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0041	0.0041
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.1263	0.2867
Echinococcus granulosus	carboxylesterase 5A	0.0303	0.4353	0.4353
Onchocerca volvulus		0.0051	0.0576	1
Onchocerca volvulus		0.0051	0.0576	1
Echinococcus multilocularis	muscleblind protein 1	0.017	0.2354	0.2354
Brugia malayi	Carboxylesterase family protein	0.0303	0.4353	1
Schistosoma mansoni	eyes absent homolog	0.01	0.131	0.1274
Entamoeba histolytica	hypothetical protein	0.0036	0.0347	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.1263	0.1227
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0051	0.0576	0.0576
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0206	0.0427
Echinococcus granulosus	intermediate filament protein	0.0027	0.0206	0.0206
Brugia malayi	Carboxylesterase family protein	0.0051	0.0576	0.128
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0051	0.0576	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0576	0.1323
Echinococcus granulosus	acetylcholinesterase	0.0303	0.4353	0.4353
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0303	0.4353	0.433
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0051	0.0576	0.0576
Echinococcus granulosus	para nitrobenzyl esterase	0.0051	0.0576	0.0576
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0051	0.0576	0.0537
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0041	0.0041
Trichomonas vaginalis	spcc417.12 protein, putative	0.0051	0.0576	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0347	0.5
Loa Loa (eye worm)	hypothetical protein	0.01	0.131	0.3009
Brugia malayi	Muscleblind-like protein	0.017	0.2354	0.5386
Loa Loa (eye worm)	hypothetical protein	0.0303	0.4353	1

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: CHEMBL1191127

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 1148168