TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 385.844 | Formula: C20H20ClN3O3
H donors: 1 H acceptors: 3 LogP: 3.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(Cl)ccc1C)CN1C(=O)N(C(C1=O)C)c1ccc(cc1)C
InChi: 1S/C20H20ClN3O3/c1-12-4-8-16(9-5-12)24-14(3)19(26)23(20(24)27)11-18(25)22-17-10-15(21)7-6-13(17)2/h4-10,14H,11H2,1-3H3,(H,22,25)
InChiKey: XJHVWYJJLHUOAT-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

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
Onchocerca volvulus		0.0161	0.1487	0.5
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0161	0.1487	0.5
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0161	0.1487	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0161	0.1487	0.5
Giardia lamblia	Serine peptidase, putative	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1487	0.1487
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0161	0.1487	0.5
Giardia lamblia	Thymus-specific serine protease precursor	0.0161	0.1487	0.5
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0736	1	1
Schistosoma mansoni	lysosomal Pro-Xaa carboxypeptidase (S28 family)	0.0736	1	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Loa Loa (eye worm)	hypothetical protein	0.0736	1	1
Trichomonas vaginalis	lysosomal pro-X carboxypeptidase, putative	0.0161	0.1487	0.5
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trypanosoma cruzi	putative prolyl carboxypeptidase, putative	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Brugia malayi	Serine protease Z688.6 precursor	0.0161	0.1487	0.1487
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0161	0.1487	0.5
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0161	0.1487	0.5
Loa Loa (eye worm)	hypothetical protein	0.0736	1	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0161	0.1487	0.5
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0736	1	1
Brugia malayi	Serine protease Z688.6 precursor	0.0161	0.1487	0.1487
Loa Loa (eye worm)	hypothetical protein	0.0736	1	1
Toxoplasma gondii	serine carboxypeptidase s28 protein	0.0161	0.1487	0.5
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0161	0.1487	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0657 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1.122 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1591771

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 1446025