TDR Targets

Basic information

Technical information

TDR Targets ID: 1568283
Name: 3-[[4-[2-[5-chloro-1-[4-(trifluoromethoxy)phe nyl]indole-2-carbonyl]pentyl]benzoyl]amino]pr opanoic acid
MW: 601.013 | Formula: C31H28ClF3N2O5
H donors: 2 H acceptors: 4 LogP: 7.62 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCCC(C(=O)c1cc2c(n1c1ccc(cc1)OC(F)(F)F)ccc(c2)Cl)Cc1ccc(cc1)C(=O)NCCC(=O)O
InChi: 1S/C31H28ClF3N2O5/c1-2-3-21(16-19-4-6-20(7-5-19)30(41)36-15-14-28(38)39)29(40)27-18-22-17-23(32)8-13-26(22)37(27)24-9-11-25(12-10-24)42-31(33,34)35/h4-13,17-18,21H,2-3,14-16H2,1H3,(H,36,41)(H,38,39)
InChiKey: RPMDUAUHROOADT-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

3-[[[4-[2-[[5-chloro-1-[4-(trifluoromethoxy)phenyl]-2-indolyl]-oxomethyl]pentyl]phenyl]-oxomethyl]amino]propanoic acid
3-[[4-[2-[5-chloro-1-[4-(trifluoromethoxy)phenyl]indole-2-carbonyl]pentyl]benzoyl]amino]propionic acid
3-[[4-[2-[5-chloro-1-[4-(trifluoromethoxy)phenyl]indol-2-yl]carbonylpentyl]phenyl]carbonylamino]propanoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon receptor	Starlite/ChEMBL	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 receptor	477 aa	457 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Echinococcus multilocularis	protein jagged 1	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0337	0.0935
Onchocerca volvulus		0.0255	0.3597	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0337	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Brugia malayi	GCC2 and GCC3 family protein	0.0082	0.0966	0.2685
Schistosoma mansoni	hypothetical protein	0.0166	0.2237	0.2237
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0086	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Loa Loa (eye worm)	Notch2	0.0082	0.0966	0.2685
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0082	0.0966	0.0966
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Giardia lamblia	High cysteine protein	0.0082	0.0966	0.5
Echinococcus multilocularis	neurogenic locus notch protein	0.0082	0.0966	0.0966
Brugia malayi	Blistered cuticle protein 3	0.0255	0.3597	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Onchocerca volvulus		0.0255	0.3597	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0392	0.0392
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0392	0.0392
Echinococcus granulosus	protein jagged 2	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	animal heme peroxidase	0.0255	0.3597	1
Brugia malayi	notch-like transmembrane receptor	0.0082	0.0966	0.2685
Onchocerca volvulus	Dual oxidase homolog	0.0255	0.3597	1
Echinococcus granulosus	neural cadherin	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Brugia malayi	hypothetical protein	0.0025	0.0086	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Schistosoma mansoni	septate junction protein	0.0082	0.0966	0.0966
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Echinococcus granulosus	protein jagged 2	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Onchocerca volvulus	Chorion peroxidase homolog	0.0255	0.3597	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Echinococcus multilocularis	neurogenic locus protein delta	0.0082	0.0966	0.0966
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Schistosoma mansoni	peroxidasin	0.0255	0.3597	0.3597
Brugia malayi	Calcium binding EGF domain containing protein	0.0082	0.0966	0.2685
Brugia malayi	Cadherin domain containing protein	0.0082	0.0966	0.2685
Schistosoma mansoni	slit	0.0082	0.0966	0.0966
Schistosoma mansoni	laminin gamma-3 chain	0.0082	0.0966	0.0966
Schistosoma mansoni	hypothetical protein	0.0166	0.2237	0.2237
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0082	0.0966	0.0966
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0392	0.109
Schistosoma mansoni	notch	0.0082	0.0966	0.0966
Echinococcus granulosus	neurogenic locus notch protein 4	0.0082	0.0966	0.0966
Brugia malayi	Animal haem peroxidase family protein	0.0255	0.3597	1
Echinococcus granulosus	geminin	0.0166	0.2237	0.2237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0392	0.0392
Schistosoma mansoni	peroxidasin	0.0255	0.3597	0.3597
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0086	0.5
Echinococcus multilocularis	slit 2 protein	0.0082	0.0966	0.0966
Onchocerca volvulus	Peroxidase homolog	0.0255	0.3597	1
Onchocerca volvulus	Peroxidasin homolog	0.0255	0.3597	1
Schistosoma mansoni	notch	0.0082	0.0966	0.0966
Schistosoma mansoni	notch	0.0082	0.0966	0.0966
Echinococcus granulosus	fibropellin Ia	0.0082	0.0966	0.0966
Echinococcus multilocularis	protein jagged 2	0.0082	0.0966	0.0966
Brugia malayi	Peroxidasin	0.0255	0.3597	1
Echinococcus multilocularis	peroxidasin	0.0255	0.3597	0.3597
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Brugia malayi	Cadherin domain containing protein	0.0082	0.0966	0.2685
Onchocerca volvulus	Peroxidase homolog	0.0255	0.3597	1
Echinococcus multilocularis	notch	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Brugia malayi	Delta serrate ligand family protein	0.0082	0.0966	0.2685
Brugia malayi	Animal haem peroxidase family protein	0.0255	0.3597	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0392	0.0392
Echinococcus granulosus	notch	0.0082	0.0966	0.0966
Loa Loa (eye worm)	animal heme peroxidase	0.0255	0.3597	1
Echinococcus granulosus	slit 2 protein	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Schistosoma mansoni	notch	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Onchocerca volvulus		0.0255	0.3597	1
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Loa Loa (eye worm)	notch protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0626	0.1742
Echinococcus multilocularis	neurogenic locus protein delta	0.0082	0.0966	0.0966
Echinococcus multilocularis	neural cadherin	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Echinococcus granulosus	neurogenic locus notch protein	0.0082	0.0966	0.0966
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0626	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Brugia malayi	hypothetical protein	0.0255	0.3597	1
Echinococcus multilocularis	fibropellin Ia	0.0082	0.0966	0.0966
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0086	0.0239
Schistosoma mansoni	cell polarity protein	0.0082	0.0966	0.0966
Brugia malayi	Animal haem peroxidase family protein	0.0255	0.3597	1
Echinococcus granulosus	protein jagged 1	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Echinococcus multilocularis	geminin	0.0166	0.2237	0.2237
Echinococcus granulosus	neurogenic locus protein delta	0.0082	0.0966	0.0966
Echinococcus granulosus	protein jagged 1	0.0082	0.0966	0.0966
Loa Loa (eye worm)	animal heme peroxidase	0.0255	0.3597	1
Brugia malayi	Muscle positioning protein 4	0.0082	0.0966	0.2685
Echinococcus multilocularis	neurogenic locus notch protein	0.0082	0.0966	0.0966
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0082	0.0966	0.2685
Onchocerca volvulus	Peroxidasin homolog	0.0255	0.3597	1
Schistosoma mansoni	notch	0.0082	0.0966	0.0966
Echinococcus granulosus	peroxidasin	0.0255	0.3597	0.3597
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0392	0.109
Schistosoma mansoni	microtubule-associated protein tau	0.0676	1	1
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Echinococcus granulosus	neurogenic locus notch protein	0.0082	0.0966	0.0966
Echinococcus granulosus	delta-like protein 1	0.0082	0.0966	0.0966
Loa Loa (eye worm)	animal heme peroxidase	0.0255	0.3597	1
Echinococcus multilocularis	protein jagged 1	0.0082	0.0966	0.0966
Schistosoma mansoni	notch	0.0082	0.0966	0.0966
Schistosoma mansoni	hypothetical protein	0.0082	0.0966	0.0966
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0626	0.1742
Brugia malayi	Calcium binding EGF domain containing protein	0.0082	0.0966	0.2685
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0392	0.0392
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Echinococcus multilocularis	microtubule associated protein 2	0.0676	1	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0082	0.0966	0.0966
Toxoplasma gondii	EGF family domain-containing protein	0.0082	0.0966	1
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	blistered cuticle protein 3	0.0255	0.3597	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0626	0.1742
Brugia malayi	EGF-like domain containing protein	0.0082	0.0966	0.2685
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0392	0.0392
Schistosoma mansoni	hypothetical protein	0.0041	0.0337	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1
Brugia malayi	Animal haem peroxidase family protein	0.0255	0.3597	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0086	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0255	0.3597	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0082	0.0966	0.2685
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3597	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 28 nM	Displacement of [125I]-glucagon from human glucagon receptor expressed in CHO cells after 4 to 12 hrs by scintillation proximity assay	ChEMBL.	22030028
IC50 (functional)	= 45 nM	Antagonist activity at human glucagon receptor expressed in CHO cells assessed as inhibition of forskolin/glucagon-induced cAMP production preincubated for 30 mins before glucagon challenge measured after 30 mins using [125I]-cAMP by liquid scintillation counting	ChEMBL.	22030028

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: CHEMBL1922918

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1568283