TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 376.491 | Formula: C24H28N2O2
H donors: 1 H acceptors: 2 LogP: 4.01 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(c1ccccc1)(C)C)N1CCC1(C)C(=O)NC1Cc2c(C1)cccc2
InChi: 1S/C24H28N2O2/c1-23(2,19-11-5-4-6-12-19)22(28)26-14-13-24(26,3)21(27)25-20-15-17-9-7-8-10-18(17)16-20/h4-12,20H,13-16H2,1-3H3,(H,25,27)
InChiKey: ZEBABQXGNSCWDJ-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0152	0.7274	0.7249
Echinococcus granulosus	protein kinase C gamma type	0.0132	0.5897	0.756
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1093	0.1434
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2187	0.2718
Giardia lamblia	Kinase, AGC PKA	0.0045	0.0092	0.5
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0045	0.0092	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1093	0.1434
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2187	0.2718
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0093	0.3264	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0152	0.7274	0.7249
Loa Loa (eye worm)	hypothetical protein	0.0181	0.9177	0.917
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.78	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2187	0.2114
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2187	0.2718
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.78	1
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0045	0.0092	0.5
Onchocerca volvulus		0.0152	0.7274	0.5
Schistosoma mansoni	atypical protein kinase C	0.0069	0.1679	0.2059
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Echinococcus granulosus	RNA directed DNA polymerase	0.0087	0.2893	0.3709
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0078	0.2255	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0087	0.2893	0.3709
Toxoplasma gondii	AGC kinase	0.0045	0.0092	0.5
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0045	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0115	0.4796	0.4747
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0045	0.0092	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0149	0.707	0.9053
Echinococcus granulosus	protein kinase c iota type	0.0069	0.1679	0.2153
Echinococcus multilocularis	serine threonine protein kinase	0.0132	0.5897	0.756
Echinococcus granulosus	serine:threonine protein kinase N2	0.0078	0.2255	0.2891
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2187	0.2804
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2187	0.2718
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2187	0.3002
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0045	0.0092	0.5
Echinococcus granulosus	protein kinase c epsilon type	0.0149	0.707	0.9064
Brugia malayi	RNA binding protein	0.0076	0.2187	0.3002
Leishmania major	protein kinase A catalytic subunit	0.0045	0.0092	0.5
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0045	0.0092	0.5
Toxoplasma gondii	AGC kinase	0.0045	0.0092	0.5
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0045	0.0092	0.5
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0149	0.707	0.7043
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0045	0.0092	0.5
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0045	0.0092	0.5
Brugia malayi	Protein kinase c protein 2	0.0121	0.5167	0.7273
Loa Loa (eye worm)	hypothetical protein	0.006	0.1093	0.101
Echinococcus granulosus	Protein kinase C brain isozyme	0.016	0.78	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0117	0.4888	0.6267
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0152	0.7274	0.7249
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2187	0.2718
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2187	0.2114
Echinococcus multilocularis	RNA directed DNA polymerase	0.0087	0.2893	0.3709
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Brugia malayi	TAR-binding protein	0.0076	0.2187	0.3002
Echinococcus multilocularis	protein kinase c epsilon type	0.0149	0.707	0.9064
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2187	0.2114
Echinococcus multilocularis	protein kinase c iota type	0.0069	0.1679	0.2153
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0045	0.0092	0.0118
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.016	0.78	1
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0045	0.0092	0.5
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2187	0.2804
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0045	0.0092	0.5
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2893	0.2827
Brugia malayi	protein kinase C II.	0.0149	0.707	1
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0045	0.0092	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1093	0.101
Trichomonas vaginalis	AGC family protein kinase	0.0045	0.0092	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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: CHEMBL2140428

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 1705018