TDR Targets

Basic information

Technical information

TDR Targets ID: 1023804
Name: 2-chloro-N-cyclopropyl-N-[2-[4-(4-methoxyphen yl)-4H-pyrrolo[2,1-c]quinoxalin-5-yl]-2-oxoet hyl]propanamide
MW: 463.956 | Formula: C26H26ClN3O3
H donors: 0 H acceptors: 2 LogP: 4.06 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C1N(C(=O)CN(C(=O)C(Cl)C)C2CC2)c2ccccc2n2c1ccc2
InChi: 1S/C26H26ClN3O3/c1-17(27)26(32)29(19-11-12-19)16-24(31)30-22-7-4-3-6-21(22)28-15-5-8-23(28)25(30)18-9-13-20(33-2)14-10-18/h3-10,13-15,17,19,25H,11-12,16H2,1-2H3
InChiKey: NULYENOSVPTJOG-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

2-chloro-N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c]quinoxalin-5-yl]-2-oxo-ethyl]propanamide
2-chloro-N-cyclopropyl-N-[2-keto-2-[4-(4-methoxyphenyl)-4H-pyrrolo[2,1-c]quinoxalin-5-yl]ethyl]propionamide

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
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0329	0.0764	0.0663
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.015	0.0212	0.0105
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.048	0.1228	0.2345
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0391	0.0953	0.0953
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.1556	0.4544	0.4426
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.3327	1	1
Onchocerca volvulus		0.0391	0.0953	0.1711
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.3327	1	1
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.015	0.0212	0.0001
Echinococcus multilocularis	geminin	0.0167	0.0264	0.0158
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Schistosoma mansoni	pcd6 interacting protein-related	0.015	0.0212	0.0212
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1556	0.4544	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.015	0.0212	0.0212
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Leishmania major	hypothetical protein, conserved	0.048	0.1228	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.015	0.0212	0.0001
Onchocerca volvulus		0.1556	0.4544	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0159	0.0241	0.0032
Schistosoma mansoni	endonuclease related	0.0235	0.0473	0.0473
Echinococcus multilocularis	hypothetical protein	0.015	0.0212	0.0105
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0843	0.2347	0.2182
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.048	0.1228	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Echinococcus multilocularis	ectonucleotide	0.0329	0.0764	0.0663
Onchocerca volvulus		0.0843	0.2347	0.493
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.015	0.0212	0.0105
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0235	0.0473	0.2569
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0159	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus granulosus	Endonuclease G	0.0235	0.0473	0.0369
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0843	0.2347	0.2183
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0235	0.0473	0.2569
Echinococcus multilocularis	Endonuclease G	0.0235	0.0473	0.0369
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.048	0.1228	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.048	0.1228	0.2345
Trypanosoma brucei	endonuclease G, putative	0.0235	0.0473	0.2569
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.015	0.0212	0.0105
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.015	0.0212	0.0105
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1556	0.4544	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Echinococcus granulosus	geminin	0.0167	0.0264	0.0158
Loa Loa (eye worm)	protein tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0391	0.0953	0.0759
Schistosoma mansoni	hypothetical protein	0.0843	0.2347	0.2347
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0159	0.0241	0.0135
Echinococcus granulosus	protein tyrosine phosphatase n9	0.015	0.0212	0.0105
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Trypanosoma cruzi	endonuclease G, putative	0.0235	0.0473	0.2569
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Schistosoma mansoni	protein tyrosine phosphatase	0.015	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0167	0.0264	0.0264
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0391	0.0953	0.0953
Echinococcus granulosus	neuropeptide s receptor	0.0455	0.1153	0.1057
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0159	0.0241	0.0135
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.015	0.0212	0.0105
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0159	0.0241	0.0135
Echinococcus granulosus	ectonucleotide	0.0329	0.0764	0.0663
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1556	0.4544	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.1556	0.4544	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0159	0.0241	0.0135
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1556	0.4544	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0391	0.0953	0.0953
Onchocerca volvulus		0.0159	0.024	0.0065
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.015	0.0212	0.0212
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0391	0.0953	0.0757
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0159	0.0241	0.0241
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.1556	0.4544	0.4427
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0159	0.0241	0.0135
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0799	0.221	0.2125
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.015	0.0212	0.0212
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0159	0.0241	0.0135
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.3327	1	1
Brugia malayi	endonuclease G, mitochondrial precursor	0.0235	0.0473	0.0267
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.015	0.0212	0.0212
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0235	0.0473	0.2569
Loa Loa (eye worm)	hypothetical protein	0.0391	0.0953	0.0759
Echinococcus multilocularis		0.015	0.0212	0.0105
Schistosoma mansoni	hypothetical protein	0.0167	0.0264	0.0264
Leishmania major	endonuclease G, putative	0.0235	0.0473	0.2569
Trypanosoma cruzi	endonuclease G, putative	0.0235	0.0473	0.2569
Schistosoma mansoni	protein tyrosine phosphatase	0.015	0.0212	0.0212
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1556	0.4544	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.015	0.0212	0.0105
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0159	0.0241	0.0241
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0299	0.0672	0.0472
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.015	0.0212	0.0105
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.015	0.0212	0.0212
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.015	0.0212	0.0105
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.015	0.0212	0.0212
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.015	0.0212	0.0212
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.015	0.0212	0.0212
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.1556	0.4544	1
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.015	0.0212	0.0001
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0391	0.0953	0.0855
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0329	0.0764	0.0663
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.015	0.0212	0.0105
Schistosoma mansoni	lipoxygenase	0.0116	0.0108	0.0108
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.1077	0.3066	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Brugia malayi	Protein-tyrosine phosphatase	0.0309	0.0702	0.0501
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.015	0.0212	0.0105
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.1556	0.4544	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.3327	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0455	0.1153	0.1057
Loa Loa (eye worm)	hypothetical protein	0.0391	0.0953	0.0759
Onchocerca volvulus		0.0391	0.0953	0.1711
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0159	0.0241	0.0135
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.1556	0.4544	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0159	0.0241	0.0135
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Echinococcus multilocularis	neuropeptide s receptor	0.0455	0.1153	0.1057
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0159	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.015	0.0212	0.0001
Trypanosoma brucei	endonuclease G, putative	0.0235	0.0473	0.2569
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Trypanosoma cruzi	hypothetical protein, conserved	0.048	0.1228	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0159	0.0241	0.0135
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0159	0.0241	0.0241
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.1556	0.4544	1
Echinococcus granulosus	neuropeptide receptor A26	0.0455	0.1153	0.1057
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0391	0.0953	0.0953
Loa Loa (eye worm)	hypothetical protein	0.0329	0.0764	0.0565
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Trypanosoma brucei	endonuclease G, putative	0.0235	0.0473	0.2569
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0235	0.0473	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.0212	0.0001
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.015	0.0212	0.0105
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.015	0.0212	0.0105
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0159	0.0241	0.0135
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.015	0.0212	0.0212
Schistosoma mansoni	protein tyrosine phosphatase	0.0159	0.0241	0.0241

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 40 %	Displacement of [3H]SR141716A from CB1 receptor in rat cerebellum membrane at 1 uM	ChEMBL.	19457667

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: CHEMBL523077

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 1023804