TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 526.626 | Formula: C31H34N4O4
H donors: 3 H acceptors: 4 LogP: 4.29 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCCNC(=O)c1cc2CN([C@@H](c2c(n1)c1cccc(c1)c1cc2c(o1)cccc2)CCO)C(=O)NC(C)C
InChi: 1S/C31H34N4O4/c1-4-13-32-30(37)24-16-23-18-35(31(38)33-19(2)3)25(12-14-36)28(23)29(34-24)22-10-7-9-20(15-22)27-17-21-8-5-6-11-26(21)39-27/h5-11,15-17,19,25,36H,4,12-14,18H2,1-3H3,(H,32,37)(H,33,38)/t25-/m1/s1
InChiKey: UKGDNCXUTMVRPA-RUZDIDTESA-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

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.004	0.0198	0.0274
Echinococcus multilocularis	mesoderm induction early response protein 1	0.0031	0.0112	0.0157
Loa Loa (eye worm)	serotonin transporter b	0.0238	0.2033	0.2033
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0026	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.004	0.0198	0.0975
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0031	0.0112	0.0551
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0198	0.0204
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0026	0.013
Schistosoma mansoni	DNA polymerase eta	0.0051	0.0295	0.145
Plasmodium falciparum	amino acid transporter, putative	0.004	0.0198	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.004	0.0198	0.0277
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0026	0.5
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0026	0.5
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0031	0.0112	0.0115
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.004	0.0198	0.0975
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0105	0.5312
Loa Loa (eye worm)	norepinephrine transporter	0.0238	0.2033	0.2033
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Echinococcus granulosus	metastasis associated protein 1 mta1	0.0031	0.0112	0.0155
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0105	0.3572
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0198	0.0204
Schistosoma mansoni	zinc finger protein	0.0031	0.0112	0.0552
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0026	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.004	0.0198	0.0198
Trypanosoma cruzi	DNA polymerase eta, putative	0.0036	0.0155	0.5244
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0238	0.2033	0.2093
Echinococcus multilocularis	zinc finger protein 541	0.0031	0.0112	0.0157
Plasmodium vivax	amine transporter, putative	0.004	0.0198	1
Echinococcus multilocularis	rest corepressor (corest) protein	0.0031	0.0112	0.0157
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0026	0.0037
Echinococcus multilocularis	SANT, DNA binding	0.0031	0.0112	0.0157
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0238	0.2033	0.2033
Echinococcus granulosus	dna polymerase eta	0.0051	0.0295	0.0407
Brugia malayi	ELM2 domain containing protein	0.0031	0.0112	0.0115
Trypanosoma cruzi	DNA polymerase eta, putative	0.0051	0.0295	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0295	0.0295
Echinococcus granulosus	metastasis associated protein MTA1	0.0031	0.0112	0.0155
Onchocerca volvulus		0.004	0.0198	0.0087
Echinococcus granulosus	REST corepressor 3	0.0031	0.0112	0.0155
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0238	0.2033	0.2033
Plasmodium falciparum	transporter, putative	0.004	0.0198	1
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0026	0.0037
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.004	0.0198	0.0277
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0198	1
Echinococcus granulosus	zinc finger protein 541	0.0031	0.0112	0.0155
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0026	0.0898
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0026	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0026	0.0898
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0198	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.004	0.0198	0.0975
Brugia malayi	hypothetical protein	0.002	0.0005	0.0005
Schistosoma mansoni	metastasis-associated protein 1 (mta1)	0.0031	0.0112	0.0551
Echinococcus multilocularis	metastasis associated protein 1 (mta1)	0.0031	0.0112	0.0157
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0026	0.0027
Echinococcus granulosus	mesoderm induction early response protein 1	0.0031	0.0112	0.0155
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0198	0.0204
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.004	0.0198	0.0975
Toxoplasma gondii	hypothetical protein	0.004	0.0198	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.004	0.0198	0.0277
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.004	0.0198	0.0204
Echinococcus granulosus	sodium and chloride dependent glycine	0.004	0.0198	0.0274
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Schistosoma mansoni	rest corepressor (corest) protein	0.0031	0.0112	0.0551
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0026	0.5
Echinococcus multilocularis	dna polymerase eta	0.0051	0.0295	0.0412
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.004	0.0198	0.0975
Echinococcus multilocularis	sodium and chloride dependent glycine	0.004	0.0198	0.0277
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0026	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0112	0.0112
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0271	0.2332	0.2332
Echinococcus granulosus	serotonin transporter	0.0238	0.2033	0.2809
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.004	0.0198	0.0274
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0105	0.5312
Trypanosoma brucei	unspecified product	0.0022	0.0026	0.0898
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Brugia malayi	Serotonin receptor	0.0463	0.4113	0.4235
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0026	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0381	0.0393
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0026	0.5
Treponema pallidum	sodium- and chloride- dependent transporter	0.0238	0.2033	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.004	0.0198	0.0274
Schistosoma mansoni	sodium-dependent amino acid transporter	0.004	0.0198	0.0975
Onchocerca volvulus		0.004	0.0198	0.0087
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Onchocerca volvulus	CoRest homolog	0.1098	1	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.004	0.0198	0.0198
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.004	0.0198	0.0975
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Echinococcus multilocularis	serotonin transporter	0.0238	0.2033	0.2843
Onchocerca volvulus		0.004	0.0198	0.0087
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0381	0.0381
Schistosoma mansoni	sodium/chloride dependent transporter	0.004	0.0198	0.0975
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.004	0.0198	0.5
Toxoplasma gondii	hypothetical protein	0.004	0.0198	1
Loa Loa (eye worm)	GATA zinc finger family protein	0.0031	0.0112	0.0112
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.004	0.0198	0.0975
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.004	0.0198	0.0975
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0105	0.3572
Leishmania major	DNA polymerase eta, putative	0.0051	0.0295	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0105	0.5312
Schistosoma mansoni	hypothetical protein	0.0041	0.0205	0.1007
Leishmania major	hypothetical protein, conserved	0.003	0.0105	0.3572
Schistosoma mansoni	rest corepressor (corest) protein	0.0031	0.0112	0.0551
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0026	0.0898
Loa Loa (eye worm)	hypothetical protein	0.003	0.0105	0.0105
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0026	0.0026
Brugia malayi	hypothetical protein	0.004	0.0198	0.0204
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0198	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0238	0.2033	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0238	0.2033	1
Echinococcus granulosus	SANT DNA binding	0.0031	0.0112	0.0155
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Brugia malayi	hypothetical protein	0.003	0.0105	0.0108
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0026	0.0898
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0105	0.5312
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Echinococcus granulosus	hypothetical protein	0.08	0.7236	1
Brugia malayi	follicle stimulating hormone receptor	0.0271	0.2332	0.2401
Loa Loa (eye worm)	hypothetical protein	0.1067	0.9711	0.9711
Schistosoma mansoni	sodium/chloride dependent transporter	0.004	0.0198	0.0975
Brugia malayi	Myb-like DNA-binding domain containing protein	0.1067	0.9711	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0205	0.0211
Brugia malayi	ELM2 domain containing protein	0.0031	0.0112	0.0115
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0381	0.0393
Trypanosoma brucei	DNA polymerase eta, putative	0.0051	0.0295	1
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0036	0.0155	0.7801
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0026	0.013
Plasmodium vivax	hypothetical protein	0.0031	0.0112	0.5652
Loa Loa (eye worm)	hypothetical protein	0.004	0.0198	0.0198
Leishmania major	DNA polymerase eta, putative	0.0036	0.0155	0.5244
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.004	0.0198	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0205	0.0205
Echinococcus multilocularis	conserved hypothetical protein	0.079	0.715	1
Onchocerca volvulus		0.0238	0.2033	0.1942
Brugia malayi	ImpB/MucB/SamB family protein	0.0051	0.0295	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0238	0.2033	0.2033
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.004	0.0198	0.0274
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0198	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0026	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0238	0.2033	0.2033
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0105	0.3572
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0026	0.0037
Echinococcus multilocularis	metastasis associated protein MTA1	0.0031	0.0112	0.0157
Loa Loa (eye worm)	hypothetical protein	0.006	0.0381	0.0381
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.004	0.0198	0.0277

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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: CHEMBL2137968

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 1705299