TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 464.342 | Formula: C22H23Cl2N3O4
H donors: 1 H acceptors: 2 LogP: 4.29 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N[C@@H]([C@H](O1)COC(=O)c1c(Cl)cccc1Cl)CN1CCN(CC1)c1ccccc1
InChi: 1S/C22H23Cl2N3O4/c23-16-7-4-8-17(24)20(16)21(28)30-14-19-18(25-22(29)31-19)13-26-9-11-27(12-10-26)15-5-2-1-3-6-15/h1-8,18-19H,9-14H2,(H,25,29)/t18-,19-/m1/s1
InChiKey: ARAGZCBNYQWYFU-RTBURBONSA-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
Onchocerca volvulus		0.005	0.0518	0.469
Schistosoma mansoni	bromodomain containing protein	0.0128	0.3414	0.3318
Brugia malayi	mbt repeat family protein	0.005	0.0518	0.0685
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0063	0.0997	0.1393
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0203	0.0969
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0321	0.0291
Onchocerca volvulus	Alhambra homolog	0.0063	0.0997	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0773	0.1097
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0518	0.0612
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0518	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0773	0.184
Schistosoma mansoni	jumonji domain containing protein	0.0163	0.4712	0.4635
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0046	0.0365	0.0362
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.0997	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0205	0.6273	1
Echinococcus multilocularis	jumonji domain containing protein	0.0087	0.1905	0.2875
Schistosoma mansoni	hypothetical protein	0.0063	0.0997	0.0866
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0518	0.1233
Echinococcus granulosus	chromobox protein 1	0.0068	0.1206	0.1734
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0425	0.1012
Echinococcus granulosus	fetal alzheimer antigen falz	0.0046	0.0365	0.0362
Toxoplasma gondii	PHD-finger domain-containing protein	0.0063	0.0997	0.5
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0046	0.0365	0.0225
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0773	0.1027
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1206	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0203	0.1193
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0073	0.1367	0.1997
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0203	0.0969
Brugia malayi	jmjC domain containing protein	0.008	0.1628	0.2481
Loa Loa (eye worm)	jmjC domain-containing protein	0.0129	0.3466	0.8253
Echinococcus granulosus	chromobox protein 1	0.0068	0.1206	0.1734
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0518	0.0612
Toxoplasma gondii	PHD-finger domain-containing protein	0.0063	0.0997	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.42	0.6644
Schistosoma mansoni	hypothetical protein	0.0047	0.0425	0.0286
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.1206	0.2871
Echinococcus granulosus	peregrin	0.0067	0.1174	0.1682
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0121	0.3146	0.4899
Echinococcus multilocularis	peregrin	0.0067	0.1174	0.1682
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0518	0.038
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0321	0.0291
Schistosoma mansoni	hypothetical protein	0.0102	0.2453	0.2343
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.42	0.6644
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0205	0.6273	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.187	0.4452
Schistosoma mansoni	jumonji/arid domain-containing protein	0.008	0.1628	0.1506
Echinococcus granulosus	PHD finger protein rhinoceros	0.0063	0.0997	0.1393
Loa Loa (eye worm)	MBCTL1	0.0057	0.0773	0.184
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0773	0.0639
Schistosoma mansoni	hypothetical protein	0.0047	0.0425	0.0286
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.42	1
Schistosoma mansoni	chromobox protein	0.0068	0.1206	0.1078
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0518	0.038
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0063	0.0997	0.0866
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0121	0.3146	0.4899
Echinococcus granulosus	GPCR family 2	0.0047	0.0425	0.046
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0425	0.046
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2453	0.584
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1727	0.4111
Schistosoma mansoni	hypothetical protein	0.0047	0.0425	0.0286
Loa Loa (eye worm)	PHD-finger family protein	0.0063	0.0997	0.2374
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0321	0.0765
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0073	0.1367	0.1997
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0425	0.046
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0321	0.0181
Echinococcus granulosus	jumonji domain containing protein	0.0087	0.1905	0.2875
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0518	0.038
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0321	0.0291
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.2453	0.3816
Brugia malayi	PHD-finger family protein	0.005	0.0542	0.0724
Loa Loa (eye worm)	hypothetical protein	0.0149	0.42	1
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0425	0.0534
Brugia malayi	Bromodomain containing protein	0.0077	0.1544	0.2346
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0997	0.2374
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0321	0.0366
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0321	0.0181
Brugia malayi	mbt repeat family protein	0.005	0.0518	0.0685
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1549	0.3689
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0773	0.1027
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0773	0.1027
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0425	0.046
Brugia malayi	Heterochromatin protein 1	0.0068	0.1206	0.1798
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0773	0.1027
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0518	0.0612
Brugia malayi	Bromodomain containing protein	0.0152	0.4291	0.6792
Loa Loa (eye worm)	jmjC domain-containing protein	0.008	0.1628	0.3876
Schistosoma mansoni	hypothetical protein	0.0047	0.0425	0.0286
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0425	0.0534
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0425	0.046
Brugia malayi	Bromodomain containing protein	0.0067	0.1174	0.1747
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1206	0.1734
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0425	0.046
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0222	0.0529
Schistosoma mansoni	hypothetical protein	0.0042	0.0222	0.008
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0425	0.1012
Brugia malayi	jmjC domain containing protein	0.0205	0.6273	1
Loa Loa (eye worm)	hypothetical protein	0.0143	0.3971	0.9455
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0518	0.469
Echinococcus granulosus	lysine specific demethylase 5A	0.008	0.1628	0.2422
Echinococcus multilocularis	lysine specific demethylase 5A	0.0076	0.1485	0.2189
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.02	0.6065	0.9661
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1206	0.1734
Giardia lamblia	PHD finger protein 15	0.0063	0.0997	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.0518	0.1233
Schistosoma mansoni	jumonji/arid domain-containing protein	0.008	0.1628	0.1506
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.02	0.6065	0.9661
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1206	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0321	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0095	0.0226
Schistosoma mansoni	chromobox protein	0.0068	0.1206	0.1078
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2654	0.6318
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0321	0.0291
Plasmodium falciparum	phd finger protein, putative	0.0063	0.0997	0.5
Brugia malayi	PHD-finger family protein	0.0063	0.0997	0.146

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: CHEMBL1812671

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1080415