TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 386.829 | Formula: C20H19ClN2O4
H donors: 2 H acceptors: 5 LogP: 4.86 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)COc1cc(ccc1Cl)c1cc2c(O)nc(nc2cc1C(C)C)C
InChi: 1S/C20H19ClN2O4/c1-10(2)13-8-17-15(20(26)23-11(3)22-17)7-14(13)12-4-5-16(21)18(6-12)27-9-19(24)25/h4-8,10H,9H2,1-3H3,(H,24,25)(H,22,23,26)
InChiKey: CZGRHESPSHXNFQ-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	transient receptor potential cation channel, subfamily V, member 1	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	sterol regulatory element binding protein	0.0049	0.0259	0.0261
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.029	0.0373
Echinococcus granulosus	tar DNA binding protein	0.0134	0.1184	0.1523
Schistosoma mansoni	smad1 5 8 and	0.0036	0.0114	0.0146
Brugia malayi	CHE-14 protein	0.0049	0.0259	0.048
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0103	0.0191
Schistosoma mansoni	hypothetical protein	0.0047	0.024	0.0309
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0321	0.0596
Brugia malayi	hypothetical protein	0.0053	0.0297	0.0551
Echinococcus granulosus	sterol regulatory element binding protein	0.0049	0.0259	0.0334
Schistosoma mansoni	hypothetical protein	0.0158	0.1436	0.1847
Brugia malayi	Smad1	0.0036	0.0114	0.0211
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0321	0.0596
Entamoeba histolytica	hypothetical protein	0.0158	0.1436	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0242	0.2347	0.4349
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0069	0.0478	0.0481
Schistosoma mansoni	hypothetical protein	0.0335	0.3353	0.4314
Mycobacterium ulcerans	proteasome PrcA	0.0948	1	0.5
Onchocerca volvulus		0.0055	0.032	0.0833
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0253	0.2474	0.2491
Echinococcus granulosus	geminin	0.0742	0.7774	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0069	0.0478	0.0885
Echinococcus multilocularis	Niemann Pick C1 protein	0.0163	0.1498	0.1508
Echinococcus multilocularis	protein dispatched 1	0.0056	0.0334	0.0337
Loa Loa (eye worm)	Smad1	0.0036	0.0114	0.0211
Echinococcus granulosus	smad	0.0036	0.0114	0.0146
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0069	0.0478	1
Brugia malayi	MH1 domain containing protein	0.0036	0.0114	0.0211
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0103	0.0133
Schistosoma mansoni	hypothetical protein	0.0055	0.032	0.0412
Brugia malayi	RNA recognition motif domain containing protein	0.0134	0.1184	0.2193
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0134	0.0247
Brugia malayi	hypothetical protein	0.0158	0.1436	0.2661
Schistosoma mansoni	survival motor neuron protein	0.0055	0.032	0.0412
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0265	0.2597	0.4813
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.029	0.0292
Echinococcus granulosus	Smad4	0.0036	0.0114	0.0146
Loa Loa (eye worm)	MH2 domain-containing protein	0.0036	0.0114	0.0211
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.029	0.0292
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0158	0.1436	0.1446
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0116	0.0986	0.1268
Echinococcus multilocularis	Smad4	0.0036	0.0114	0.0115
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0103	0.0133
Onchocerca volvulus	Huntingtin homolog	0.0142	0.1269	0.4476
Brugia malayi	isocitrate dehydrogenase	0.0069	0.0478	0.0885
Brugia malayi	MH2 domain containing protein	0.0036	0.0114	0.0211
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0103	0.0104
Brugia malayi	MH2 domain containing protein	0.0523	0.5396	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0089	0.0115
Echinococcus granulosus	Protein patched homolog 1	0.0049	0.0259	0.0334
Entamoeba histolytica	hypothetical protein	0.0158	0.1436	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0036	0.0114	0.0211
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0103	0.0104
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0069	0.0478	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0036	0.0114	0.0115
Onchocerca volvulus	Huntingtin homolog	0.0142	0.1269	0.4476
Brugia malayi	Pre-SET motif family protein	0.0242	0.2347	0.4349
Toxoplasma gondii	isocitrate dehydrogenase	0.0069	0.0478	1
Loa Loa (eye worm)	RNA binding protein	0.0134	0.1184	0.2193
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0259	0.048
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.029	0.0373
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0069	0.0478	0.0615
Onchocerca volvulus		0.0275	0.2709	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0069	0.0478	1
Brugia malayi	Isocitrate dehydrogenase	0.0069	0.0478	0.0885
Toxoplasma gondii	isocitrate dehydrogenase	0.0069	0.0478	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0297	0.5186
Loa Loa (eye worm)	TAR-binding protein	0.0134	0.1184	0.2193
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0967	0.1791
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0134	0.0247
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0036	0.0114	0.0115
Echinococcus multilocularis	geminin	0.0742	0.7774	0.7827
Entamoeba histolytica	hypothetical protein	0.0158	0.1436	1
Echinococcus granulosus	potassium voltage gated channel protein	0.0265	0.2597	0.3341
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0069	0.0478	0.0481
Brugia malayi	RNA binding protein	0.0134	0.1184	0.2193
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.029	0.0373
Echinococcus granulosus	survival motor neuron protein 1	0.0268	0.2634	0.3388
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1269	0.2352
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.1184	0.1523
Schistosoma mansoni	smad1 5 8 and	0.0036	0.0114	0.0146
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0321	0.0596
Echinococcus multilocularis	protein patched	0.0049	0.0259	0.0261
Echinococcus multilocularis	Niemann Pick C1 protein	0.0114	0.0967	0.0973
Schistosoma mansoni	hypothetical protein	0.0742	0.7774	1
Schistosoma mansoni	transcription factor LCR-F1	0.0158	0.1436	0.1847
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0103	0.0133
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0103	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0297	0.0551
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0069	0.0478	1
Echinococcus granulosus	expressed conserved protein	0.0107	0.0891	0.1147
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0036	0.0114	0.0146
Brugia malayi	Niemann-Pick C1 protein precursor	0.0114	0.0967	0.1791
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1269	0.2352
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0134	0.1184	0.2193
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.029	0.0373
Loa Loa (eye worm)	transcription factor SMAD2	0.0523	0.5396	1
Brugia malayi	hypothetical protein	0.0268	0.2634	0.4881
Echinococcus granulosus	Niemann Pick C1 protein	0.0163	0.1498	0.1927
Schistosoma mansoni	smad1 5 8 and	0.0036	0.0114	0.0146
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0069	0.0478	0.0481
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.029	0.0537
Trichomonas vaginalis	set domain proteins, putative	0.0275	0.2709	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0069	0.0478	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0523	0.5396	1
Brugia malayi	hypothetical protein	0.0034	0.0095	0.0177
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0069	0.0478	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0069	0.0478	0.0615
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0049	0.0259	0.048
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0069	0.0478	0.0481
Schistosoma mansoni	Smad4	0.0036	0.0114	0.0146
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.032	0.0594
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0265	0.2597	0.3341
Loa Loa (eye worm)	hypothetical protein	0.006	0.0379	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0265	0.2597	0.4813
Brugia malayi	MH2 domain containing protein	0.0036	0.0114	0.0211
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.029	0.0373
Schistosoma mansoni	hypothetical protein	0.0047	0.024	0.0309
Schistosoma mansoni	hypothetical protein	0.0047	0.024	0.0309
Echinococcus multilocularis	survival motor neuron protein 1	0.0268	0.2634	0.2652
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.1184	0.1523
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0321	0.0596
Brugia malayi	hypothetical protein	0.0142	0.1269	0.2352
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.1184	0.1523
Schistosoma mansoni	smad	0.0036	0.0114	0.0146
Echinococcus granulosus	Niemann Pick C1 protein	0.0114	0.0967	0.1243
Brugia malayi	TAR-binding protein	0.0134	0.1184	0.2193
Brugia malayi	MH1 domain containing protein	0.0036	0.0114	0.0211
Schistosoma mansoni	voltage-gated potassium channel	0.0265	0.2597	0.3341
Echinococcus multilocularis	potassium voltage gated channel protein	0.0265	0.2597	0.2615
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0942	0.9932	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0134	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0268	0.2634	0.4881
Echinococcus granulosus	X box binding protein 1	0.0335	0.3353	0.4314
Entamoeba histolytica	hypothetical protein	0.0158	0.1436	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0297	0.5186
Echinococcus multilocularis	expressed conserved protein	0.0107	0.0891	0.0897
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0036	0.0114	0.0146
Echinococcus multilocularis	tar DNA binding protein	0.0134	0.1184	0.1192
Echinococcus multilocularis	X box binding protein 1	0.0335	0.3353	0.3376
Schistosoma mansoni	patched 1	0.0049	0.0259	0.0334
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0069	0.0478	1
Echinococcus multilocularis	isocitrate dehydrogenase	0.0069	0.0478	0.0481
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.1184	0.1523
Echinococcus multilocularis	smad	0.0036	0.0114	0.0115
Brugia malayi	Pre-SET motif family protein	0.0035	0.0103	0.0191
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0158	0.1436	0.1847
Echinococcus granulosus	mothers against decapentaplegic 5	0.0036	0.0114	0.0146
Schistosoma mansoni	voltage-gated potassium channel	0.0265	0.2597	0.3341
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0948	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0103	0.0133
Schistosoma mansoni	hypothetical protein	0.0047	0.024	0.0309
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.1184	0.1523
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.029	0.0537
Schistosoma mansoni	hypothetical protein	0.0742	0.7774	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 1000 nM	Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay	ChEMBL.	16420034
IC50 (functional)	> 1000 nM	Inhibition of calcium influx evoked by capsaicin in human TRPV1 expressing cells by fluorescence assay	ChEMBL.	16420034

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

No external resources registered for this compound

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 351324