TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 434.549 | Formula: C26H31FN4O
H donors: 2 H acceptors: 2 LogP: 5.25 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC(c1ccccc1F)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)CC
InChi: 1S/C26H31FN4O/c1-5-26(6-2,20-14-10-11-15-21(20)27)30-24(32)19-17-28-31-23(19)29-22(16-25(31,3)4)18-12-8-7-9-13-18/h7-15,17,22,29H,5-6,16H2,1-4H3,(H,30,32)
InChiKey: ILUFJJNLTHNZPD-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	calcium-sensing receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Metabotropic glutamate receptor 7 precursor, putative	Get druggable targets OG5_127276	All targets in OG5_127276
Schistosoma mansoni	metabotropic glutamate receptor	Get druggable targets OG5_127276	All targets in OG5_127276
Schistosoma japonicum	Metabotropic glutamate receptor 7 precursor, putative	Get druggable targets OG5_127276	All targets in OG5_127276

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
Brugia malayi	intermediate filament protein	0.0027	0.0669	0.1066
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0016	0.0072	0.0114
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.6276	0.623
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.6276	0.623
Brugia malayi	jmjC domain containing protein	0.0035	0.1114	0.1775
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0786	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0349	0.0556
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0349	0.0556
Loa Loa (eye worm)	glutamate receptor	0.0016	0.0072	0.0114
Entamoeba histolytica	hypothetical protein	0.0036	0.1151	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0669	0.1066
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0349	0.0229
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0495	0.5
Onchocerca volvulus		0.0027	0.0669	0.7328
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0349	0.026
Onchocerca volvulus		0.0027	0.0669	0.7328
Schistosoma mansoni	coup transcription factor	0.0021	0.0349	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0175	0.0278
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.4332	0.4831
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0349	0.026
Schistosoma mansoni	lamin	0.0027	0.0669	0.0554
Echinococcus multilocularis	peregrin	0.0029	0.0786	0.0762
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0349	0.0229
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0349	0.0556
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0349	0.026
Schistosoma mansoni	hypothetical protein	0.0036	0.1151	0.1041
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0495	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0175	0.139
Echinococcus granulosus	peregrin	0.0029	0.0786	0.0762
Entamoeba histolytica	hypothetical protein	0.0036	0.1151	1
Schistosoma mansoni	lamin	0.0027	0.0669	0.0554
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0349	0.0229
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0349	0.0229
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0349	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0175	0.0278
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0349	0.026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0349	0.0556
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.1114	0.1138
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0786	0.0762
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0643	0.1024
Echinococcus granulosus	tar DNA binding protein	0.0131	0.6276	0.7062
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0349	0.026
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0349	0.026
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0349	0.0556
Brugia malayi	TAR-binding protein	0.0131	0.6276	1
Brugia malayi	jmjC domain containing protein	0.0095	0.4332	0.6902
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0024	0.0523	0.0405
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0349	0.0229
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0786	0.0762
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0349	0.026
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0495	0.0789
Brugia malayi	PHD-finger family protein	0.0029	0.0786	0.1253
Brugia malayi	steroid hormone receptor	0.0021	0.0349	0.0556
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0349	0.026
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0016	0.0072	0.0114
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.6276	0.623
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.6276	0.623
Entamoeba histolytica	hypothetical protein	0.0036	0.1151	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0495	0.0789
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0495	1
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0786	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0349	0.0556
Echinococcus granulosus	geminin	0.0178	0.8836	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0349	0.0556
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0349	0.026
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0349	0.0556
Schistosoma mansoni	hypothetical protein	0.0178	0.8836	0.8822
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0349	0.026
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0495	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0349	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0175	0.0278
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0495	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0349	0.0229
Onchocerca volvulus		0.0024	0.0495	0.3344
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.3283	0.32
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0349	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.2446	0.3897
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0349	0.026
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0495	0.0789
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0495	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0495	0.5
Schistosoma mansoni	hypothetical protein	0.0178	0.8836	0.8822
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0786	0.1253
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.1397	0.1462
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.2055	0.3273
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0495	0.0789
Brugia malayi	RNA recognition motif domain containing protein	0.0131	0.6276	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.1114	0.1004
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0349	0.0556
Schistosoma mansoni	hypothetical protein	0.0029	0.0786	0.0672
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0349	0.0556
Echinococcus multilocularis	lamin dm0	0.0027	0.0669	0.0628
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0349	0.026
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.1114	0.1775
Brugia malayi	metabotropic glutamate receptor type 2	0.003	0.0832	0.1326
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0349	0.0556
Giardia lamblia	PHD finger protein 15	0.0029	0.0786	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0786	0.0672
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0349	0.0556
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0495	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0349	0.0229
Loa Loa (eye worm)	TAR-binding protein	0.0131	0.6276	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0349	0.0556
Entamoeba histolytica	hypothetical protein	0.0036	0.1151	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0349	0.0556
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1151	0.1181
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0669	0.1066
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0349	0.026
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2055	0.3273
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1151	0.1181
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0122	0.0195
Echinococcus granulosus	lamin dm0	0.0027	0.0669	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0175	0.0278
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0131	0.6276	1
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0016	0.0072	0.0114
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0349	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0072	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Echinococcus multilocularis	geminin	0.0178	0.8836	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0349	0.0556
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0669	0.0554
Echinococcus granulosus	lamin	0.0027	0.0669	0.0628
Schistosoma mansoni	tar DNA-binding protein	0.0131	0.6276	0.623
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0349	0.0229
Echinococcus granulosus	metabotropic glutamate receptor 5	0.003	0.0832	0.0815
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0349	0.0556
Brugia malayi	nuclear hormone receptor	0.0021	0.0349	0.0556
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0495	1
Onchocerca volvulus	Alhambra homolog	0.0029	0.0786	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0175	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0786	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0495	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.2055	0.3273
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0122	0.0195
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0495	1
Echinococcus granulosus	intermediate filament protein	0.0027	0.0669	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Brugia malayi	Bromodomain containing protein	0.0029	0.0786	0.1253
Echinococcus granulosus	jumonji domain containing protein	0.004	0.1397	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0495	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0349	0.0556
Echinococcus multilocularis	lamin	0.0027	0.0669	0.0628
Loa Loa (eye worm)	hypothetical protein	0.003	0.0832	0.1326
Brugia malayi	hypothetical protein	0.0036	0.1151	0.1834
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0349	0.0229
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0495	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0122	0.0195
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.1114	0.1004
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0349	0.026
Loa Loa (eye worm)	hypothetical protein	0.0036	0.116	0.1848
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0349	0.0556
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0349	0.0229
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0349	0.0556
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0495	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0349	0.026
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.1114	0.1138
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0349	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Loa Loa (eye worm)	glutamate receptor	0.0024	0.0523	0.0833
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0349	0.026
Brugia malayi	RNA binding protein	0.0131	0.6276	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0495	0.0789
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0786	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.2055	0.3273
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0495	0.0789
Loa Loa (eye worm)	RNA binding protein	0.0131	0.6276	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.116	0.1848
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0349	0.026
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.003	0.0832	0.0815
Schistosoma mansoni	hypothetical protein	0.0036	0.116	0.1051
Loa Loa (eye worm)	hypothetical protein	0.005	0.19	0.3027
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0349	0.0556
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0669	0.1066
Echinococcus multilocularis	tar DNA binding protein	0.0131	0.6276	0.7062
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0349	0.0556
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0349	0.026
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0349	0.0556
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1151	0.1041
Brugia malayi	Receptor family ligand binding region containing protein	0.0016	0.0072	0.0114
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0349	0.0556
Echinococcus multilocularis	musashi	0.0027	0.0669	0.0628
Brugia malayi	ecdysteroid receptor	0.0021	0.0349	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0669	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0175	0.0278
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0786	0.1253
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.4332	0.4831
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0495	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 12 nM	Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay	ChEMBL.	21306167

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: CHEMBL1688086

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 1500955