TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.779 | Formula: C18H15ClF3N3O
H donors: 1 H acceptors: 2 LogP: 4.07 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)NC(=O)C1=CCN(CC1)c1ncccc1C(F)(F)F
InChi: 1S/C18H15ClF3N3O/c19-13-3-5-14(6-4-13)24-17(26)12-7-10-25(11-8-12)16-15(18(20,21)22)2-1-9-23-16/h1-7,9H,8,10-11H2,(H,24,26)
InChiKey: BHBZFJBSLMYUOQ-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
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0028	0.0312	0.0777
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0337	1	1
Schistosoma mansoni	hypothetical protein	0.0073	0.1711	0.1711
Schistosoma mansoni	hypothetical protein	0.018	0.5098	0.5098
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0141	0.0351
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0106	0.2766	0.2766
Schistosoma mansoni	hypothetical protein	0.0328	0.9726	0.9726
Schistosoma mansoni	hypothetical protein	0.0034	0.0486	0.0486
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0146	0.4018	0.4131
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0028	0.0312	1
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0028	0.0312	0.0312
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0028	0.0312	0.0312
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0028	0.0312	0.0321
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.1711	0.4258
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0396	1
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0028	0.0312	1
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0396	0.0407
Schistosoma mansoni	fad oxidoreductase	0.0028	0.0312	0.0312
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0141	0.3566
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0486	0.0486
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0028	0.0312	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0028	0.0312	1
Leishmania major	hypothetical protein, conserved	0.0028	0.0312	1
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0486	0.1211
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0146	0.4018	0.4018
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0396	0.0407
Entamoeba histolytica	Ran family GTPase	0.0023	0.0141	0.4518
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0141	0.0141
Echinococcus granulosus	geminin	0.018	0.5098	0.5242
Echinococcus multilocularis	snurportin 1	0.0328	0.9726	1
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0312	0.7894
Brugia malayi	Importin beta-1 subunit	0.0031	0.0396	0.0985
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0396	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0141	0.4518
Plasmodium falciparum	importin beta, putative	0.0031	0.0396	1
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0028	0.0312	0.7894
Schistosoma mansoni	hypothetical protein	0.018	0.5098	0.5098
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0028	0.0312	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0312	0.0312
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0146	0.4018	1
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0141	0.3566
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.4018	0.4018
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0213	1
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0028	0.0312	0.0321
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0141	0.4518
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0146	0.4018	0.4131
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0312	0.0312
Schistosoma mansoni	ran	0.0023	0.0141	0.0141
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0028	0.0312	0.0312
Leishmania major	hypothetical protein, conserved	0.0028	0.0312	1
Schistosoma mansoni	fad oxidoreductase	0.0028	0.0312	0.0312
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0028	0.0312	0.0321
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0028	0.0312	0.7894
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0337	1	1
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0309	0.9119	1
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0028	0.0312	0.0312
Schistosoma mansoni	hypothetical protein	0.0034	0.0486	0.0486
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0106	0.2766	0.6884
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0028	0.0312	1
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0312	1
Trichomonas vaginalis	ran, putative	0.0023	0.0141	0.6615
Schistosoma mansoni	hypothetical protein	0.0034	0.0486	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0486	0.0486
Schistosoma mansoni	ran	0.0023	0.0141	0.0141
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0028	0.0312	0.0777
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0146	0.4018	0.4131
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0028	0.0312	0.0312
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0486	0.05
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0106	0.2766	0.6884
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0213	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.4018	0.4018
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0146	0.4018	0.4131
Brugia malayi	cDNA sequence BC016226	0.0028	0.0312	0.0777
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0141	0.3566
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0213	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0141	0.4518
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0028	0.0312	0.0312
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0028	0.0312	1
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0028	0.0312	0.7894
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0396	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0396	1
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0312	0.0312
Schistosoma mansoni	d-amino acid oxidase	0.0337	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0486	0.05
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0141	0.3566
Echinococcus multilocularis	geminin	0.018	0.5098	0.5242
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0486	0.05
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0486	0.05
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0312	0.0343
Entamoeba histolytica	hypothetical protein	0.0025	0.0213	0.683
Echinococcus granulosus	GPCR family 2	0.0034	0.0486	0.05
Echinococcus granulosus	snurportin 1	0.0328	0.9726	1
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0213	0.683
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0328	0.9726	0.9726
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0028	0.0312	1
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0312	0.7894
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0028	0.0312	0.7894
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0028	0.0312	0.7894
Brugia malayi	RE18450p	0.0028	0.0312	0.0777
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0028	0.0312	0.5
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0028	0.0312	0.5
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0312	0.0312
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0028	0.0312	1
Schistosoma mansoni	importin beta-1	0.0031	0.0396	0.0396
Brugia malayi	RNA, U transporter 1	0.0087	0.2174	0.541
Leishmania major	GTP-binding protein, putative	0.0023	0.0141	0.4518
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0146	0.4018	0.4018
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0028	0.0312	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0141	0.0145
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0213	0.683
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0028	0.0312	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0486	0.0486
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0141	0.0145
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0028	0.0312	0.7894
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1711	0.1711
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0486	0.05
Onchocerca volvulus	Putative fad oxidoreductase	0.0028	0.0312	0.5
Loa Loa (eye worm)	hypothetical protein	0.0106	0.2766	0.2766
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0028	0.0312	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0396	0.0396
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0486	0.1211
Schistosoma mansoni	NAD dehydrogenase	0.0028	0.0312	0.0312
Toxoplasma gondii	hypothetical protein	0.0028	0.0312	0.7894

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 19 nM	Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells assessed as inhibition of capsaicin-induced calcium influx by FLIPR assay	ChEMBL.	18722778

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: CHEMBL489400

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 988951