TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 493 | Formula: C26H29ClN6O2
H donors: 2 H acceptors: 2 LogP: 3.67 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)N1CCN(CC1)CCCNC(=O)Cn1ncc2c(c1=O)[nH]c1c2cccc1)C
InChi: 1S/C26H29ClN6O2/c1-18-7-8-19(27)15-23(18)32-13-11-31(12-14-32)10-4-9-28-24(34)17-33-26(35)25-21(16-29-33)20-5-2-3-6-22(20)30-25/h2-3,5-8,15-16,30H,4,9-14,17H2,1H3,(H,28,34)
InChiKey: XAODJDPQVRFXFJ-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
Plasmodium falciparum	LCCL domain-containing protein	0.0102	0	0.5
Schistosoma mansoni	dock	0.0102	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 11	0.1099	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Plasmodium vivax	LCCL domain-containing protein	0.0102	0	0.5
Schistosoma mansoni	discoidin domain receptor	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Trichomonas vaginalis	beta-hexosaminidase B, putative	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0102	0	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.1099	1	0.5
Schistosoma mansoni	btb and poz domain-containing protein	0.0102	0	0.5
Loa Loa (eye worm)	TK/DDR protein kinase	0.0721	0.6206	0.6206
Plasmodium falciparum	LCCL domain-containing protein	0.0102	0	0.5
Plasmodium vivax	LCCL domain-containing protein	0.0102	0	0.5
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Echinococcus granulosus	mitogen activated protein kinase 14	0.1099	1	1
Trichomonas vaginalis	hypothetical protein	0.0102	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0721	0.6206	0.6206
Echinococcus multilocularis	mitogen activated protein kinase 14	0.1099	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Schistosoma mansoni	hypothetical protein	0.0102	0	0.5
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.1099	1	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Mycobacterium leprae	PROBABLE CONSERVED TRANSMEMBRANE PROTEIN	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0811	0.7117	0.7117
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 14	0.1099	1	1
Onchocerca volvulus		0.0822	0.7225	1
Echinococcus granulosus	mitogen activated protein kinase 11	0.1099	1	1
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0102	0	0.5
Toxoplasma gondii	PA14 domain-containing protein	0.0102	0	0.5
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.1099	1	0.5
Mycobacterium tuberculosis	Possible arabinofuranosyltransferase AftD	0.0102	0	0.5
Echinococcus granulosus	discoidin domain receptor	0.0811	0.7117	0.7117
Schistosoma mansoni	discoidin domain receptor	0.0102	0	0.5
Schistosoma mansoni	septate junction protein	0.0102	0	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.1099	1	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.1099	1	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.1099	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1438211

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1333574