TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 349.43 | Formula: C20H23N5O
H donors: 2 H acceptors: 3 LogP: 3.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1[nH]nc(c1)C(=O)NC1CCCc2c1cnn2c1cc(C)cc(c1)C
InChi: 1S/C20H23N5O/c1-12-7-13(2)9-15(8-12)25-19-6-4-5-17(16(19)11-21-25)22-20(26)18-10-14(3)23-24-18/h7-11,17H,4-6H2,1-3H3,(H,22,26)(H,23,24)
InChiKey: HCFUVDISVINIHV-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	geminin, DNA replication inhibitor	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
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
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	0.0149	0.5571	0.5571
Schistosoma mansoni	nuclear hormone receptor	0.007	0.1501	0.1771
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0149	0.5571	0.6573
Trypanosoma brucei	acetyl-CoA carboxylase	0.019	0.7705	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1677	0.1677
Brugia malayi	nuclear hormone receptor family member nhr-6	0.007	0.1501	0.1501
Loa Loa (eye worm)	steroid hormone receptor	0.0149	0.5571	0.5571
Brugia malayi	Carboxyl transferase domain containing protein	0.0183	0.736	0.736
Brugia malayi	hypothetical protein	0.007	0.1501	0.1501
Brugia malayi	photoreceptor-specific nuclear receptor	0.0149	0.5571	0.5571
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0149	0.5571	0.5571
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0149	0.5571	0.5571
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.019	0.7705	1
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0137	0.4986	0.5
Brugia malayi	Nuclear hormone receptor E75	0.007	0.1501	0.1501
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0079	0.1937	0.2285
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.1937	0.1937
Loa Loa (eye worm)	carboxylesterase	0.0074	0.1677	0.1677
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.007	0.1501	0.1501
Loa Loa (eye worm)	nuclear receptor NHR-67	0.007	0.1501	0.1501
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0149	0.5571	0.6573
Echinococcus multilocularis	acetylcholinesterase	0.0074	0.1677	0.0253
Echinococcus multilocularis	geminin	0.0205	0.8476	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0149	0.5571	0.5835
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0149	0.5571	0.5571
Brugia malayi	orphan nuclear receptor NR2E1	0.007	0.1501	0.1501
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.019	0.7705	0.8894
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0149	0.5571	0.5835
Schistosoma mansoni	RAR-like nuclear receptor	0.0149	0.5571	0.6573
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0072	0.1614	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0149	0.5571	0.5571
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0149	0.5571	0.5835
Brugia malayi	ecdysteroid receptor	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0072	0.1614	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0149	0.5571	0.5571
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0072	0.1614	0.5
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0072	0.1614	0.1741
Brugia malayi	hypothetical protein	0.007	0.1501	0.1501
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0072	0.1614	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0149	0.5571	0.6573
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0149	0.5571	0.6573
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0149	0.5571	0.5835
Brugia malayi	Cytochrome P450 family protein	0.0053	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1677	0.1677
Brugia malayi	nuclear receptor RXR	0.0079	0.1937	0.1937
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0149	0.5571	0.5835
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0149	0.5571	0.5571
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0072	0.1614	0.0162
Schistosoma mansoni	hypothetical protein	0.0205	0.8476	1
Chlamydia trachomatis	biotin carboxylase	0.0066	0.1269	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0988	0.0988
Schistosoma mansoni	nuclear receptor	0.007	0.1501	0.1771
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Brugia malayi	Nuclear hormone receptor E75	0.007	0.1501	0.1501
Brugia malayi	steroid hormone receptor	0.0149	0.5571	0.5571
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0117	0.3957	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1937	0.1937
Echinococcus granulosus	acetylcholinesterase	0.0074	0.1677	0.0253
Schistosoma mansoni	retinoic acid receptor RXR	0.0149	0.5571	0.6573
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0988	0.0988
Brugia malayi	Carboxylesterase family protein	0.0074	0.1677	0.1677
Echinococcus granulosus	acetylcholinesterase	0.0074	0.1677	0.0253
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Brugia malayi	nuclear receptor RXR	0.007	0.1501	0.1501
Brugia malayi	conserved hypotetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.007	0.1501	0.1501
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0149	0.5571	0.5571
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0149	0.5571	0.5571
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0149	0.5571	1
Schistosoma mansoni	coup transcription factor	0.0149	0.5571	0.6573
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0072	0.1614	0.1904
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.007	0.1501	0.1771
Echinococcus granulosus	ecdysone induced protein 78C	0.0149	0.5571	0.5835
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0072	0.1614	0.5
Brugia malayi	Carboxylesterase family protein	0.0074	0.1677	0.1677
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0149	0.5571	0.5571
Schistosoma mansoni	nuclear receptor	0.007	0.1501	0.1771
Schistosoma mansoni	pyruvate carboxylase	0.0072	0.1614	0.1904
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0149	0.5571	0.5571
Echinococcus multilocularis	carboxylesterase 5A	0.0074	0.1677	0.0253
Loa Loa (eye worm)	acetylcholinesterase 1	0.0074	0.1677	0.1677
Brugia malayi	ecdysone receptor	0.007	0.1501	0.1501
Echinococcus granulosus	carboxylesterase 5A	0.0074	0.1677	0.0253
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0234	1	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0072	0.1614	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0149	0.5571	0.5835
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0149	0.5571	0.5571
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.5571	0.5835
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0149	0.5571	0.5571
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.019	0.7705	1
Echinococcus granulosus	geminin	0.0205	0.8476	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Brugia malayi	hypothetical protein	0.0079	0.1937	0.1937
Brugia malayi	nuclear receptor NHR-88	0.0149	0.5571	0.5571
Brugia malayi	tailless protein	0.007	0.1501	0.1501
Brugia malayi	nuclear receptor NHR-88	0.007	0.1501	0.1501
Brugia malayi	Nuclear hormone receptor-like 1	0.0149	0.5571	0.5571
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	DR-78	0.007	0.1501	0.1501
Schistosoma mansoni	nuclear hormone receptor	0.0149	0.5571	0.6573
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1937	0.1937
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0149	0.5571	0.5835
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Echinococcus multilocularis	ecdysone induced protein 78C	0.0149	0.5571	0.5835
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0079	0.1937	0.2285
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Brugia malayi	Steroid receptor seven-up type 2	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0149	0.5571	0.5835
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0149	0.5571	0.6573
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0072	0.1614	0.1741
Echinococcus multilocularis	acetylcholinesterase	0.0074	0.1677	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Mycobacterium ulcerans	pyruvate carboxylase	0.0072	0.1614	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.007	0.1501	0.1771
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0183	0.736	0.736
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0149	0.5571	0.5571
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0149	0.5571	0.5835
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0149	0.5571	0.5835
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0149	0.5571	0.5571
Leishmania major	acetyl-CoA carboxylase, putative	0.019	0.7705	1
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.5571	0.6573
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0149	0.5571	0.5835
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1937	0.1937
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0149	0.5571	0.5571
Onchocerca volvulus	Protein ultraspiracle homolog	0.0149	0.5571	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0149	0.5571	0.5835
Onchocerca volvulus	Bile acid receptor homolog	0.0149	0.5571	1
Brugia malayi	hypothetical protein	0.0079	0.1937	0.1937
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.1937	0.1937
Schistosoma mansoni	acetyl-CoA carboxylase	0.019	0.7705	0.909
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0149	0.5571	0.6573
Schistosoma mansoni	hypothetical protein	0.0205	0.8476	1
Schistosoma mansoni	nuclear hormone receptor	0.007	0.1501	0.1771
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0072	0.1614	0.5
Schistosoma mansoni	zinc finger protein	0.007	0.1501	0.1771
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.5571	0.6573
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1937	0.1937
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.019	0.7705	0.8894
Brugia malayi	nuclear hormone receptor	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0079	0.1937	0.0625
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0988	0.0988
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0072	0.1614	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0149	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1937	0.1937
Brugia malayi	nuclear receptor NHR-67	0.007	0.1501	0.1501
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.007	0.1501	0.1771
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0074	0.1677	0.1979
Brugia malayi	nuclear hormone receptor	0.007	0.1501	0.1501
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0137	0.4986	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.007	0.1501	0.1501
Onchocerca volvulus		0.0149	0.5571	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0149	0.5571	0.5835
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0072	0.1614	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0149	0.5571	0.5835
Brugia malayi	nuclear hormone receptor family member odr-7	0.007	0.1501	0.1501
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0149	0.5571	0.6573
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0079	0.1937	0.1937
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0149	0.5571	0.5571
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0079	0.1937	0.0625
Loa Loa (eye worm)	hypothetical protein	0.007	0.1501	0.1501
Echinococcus multilocularis	FTZ F1 alpha	0.0149	0.5571	0.5835
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0988	0.0988
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0149	0.5571	0.5571

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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: CHEMBL1477314

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 1363726