TDR Targets

Basic information

Technical information

TDR Targets ID: 13823
Name: 1-[6-(1,2,4-thiadiazol-5-yl)pyridazin-3-yl]-N -[3-(trifluoromethyl)phenyl]piperidin-4-amine
MW: 406.428 | Formula: C18H17F3N6S
H donors: 1 H acceptors: 4 LogP: 3.95 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1cccc(c1)NC1CCN(CC1)c1ccc(nn1)c1ncns1)(F)F
InChi: 1S/C18H17F3N6S/c19-18(20,21)12-2-1-3-14(10-12)24-13-6-8-27(9-7-13)16-5-4-15(25-26-16)17-22-11-23-28-17/h1-5,10-11,13,24H,6-9H2
InChiKey: JRJUXDCXPWULRJ-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

1-[6-(1,2,4-thiadiazol-5-yl)-3-pyridazinyl]-N-[3-(trifluoromethyl)phenyl]-4-piperidinamine
[1-[6-(1,2,4-thiadiazol-5-yl)pyridazin-3-yl]-4-piperidyl]-[3-(trifluoromethyl)phenyl]amine

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)	hypothetical protein	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Echinococcus multilocularis	glycine receptor subunit beta	0.0062	0.3652	0.3652
Loa Loa (eye worm)	LGC-31 protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Onchocerca volvulus	Putative nachr subunit	0.0062	0.3652	1
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0062	0.3652	0.3652
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0068	0.4616	0.4616
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0068	0.4616	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0062	0.3652	0.3652
Trichomonas vaginalis	CMGC family protein kinase	0.0103	1	0.5
Echinococcus multilocularis	mitogen activated protein kinase	0.0103	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0103	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0062	0.3652	0.3652
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0062	0.3652	0.3652
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0103	1	0.5
Giardia lamblia	Kinase, CMGC MAPK	0.0103	1	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.3652	0.3652
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0062	0.3652	0.3652
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0062	0.3652	0.3652
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0062	0.3652	0.3652
Onchocerca volvulus		0.0062	0.3652	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0062	0.3652	0.3652
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0062	0.3652	0.3652
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.3652	0.3652
Trichomonas vaginalis	CMGC family protein kinase	0.0103	1	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0103	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0062	0.3652	0.3652
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0068	0.4616	0.4616
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Echinococcus multilocularis	glycine receptor subunit beta	0.0062	0.3652	0.3652
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0103	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.3652	0.3652
Brugia malayi	Cation transporter family protein	0.0062	0.3652	0.3652
Brugia malayi	excitatory GABA receptor EXP-1A	0.0062	0.3652	0.3652
Onchocerca volvulus		0.0062	0.3652	1
Onchocerca volvulus		0.0062	0.3652	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0062	0.3652	0.3652
Trichomonas vaginalis	CMGC family protein kinase	0.0103	1	0.5
Trypanosoma brucei	protein kinase, putative	0.0103	1	1
Echinococcus granulosus	mitogen activated protein kinase	0.0103	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0062	0.3652	0.3652
Echinococcus granulosus	glycine receptor subunit beta	0.0062	0.3652	0.3652
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0068	0.4616	0.4616
Trichomonas vaginalis	CMGC family protein kinase	0.0103	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0068	0.4616	0.4616
Onchocerca volvulus		0.0062	0.3652	1
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0068	0.4616	0.4616
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.3652	0.3652
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0103	1	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0103	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0062	0.3652	0.3652
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0062	0.3652	0.3652
Echinococcus granulosus	glycine receptor subunit beta	0.0062	0.3652	0.3652
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Echinococcus multilocularis	nAChR subunit	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0062	0.3652	0.3652
Echinococcus granulosus	nAChR subunit	0.0062	0.3652	0.3652
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0103	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0062	0.3652	0.3652
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0202	0.0202
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0062	0.3652	0.3652
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Onchocerca volvulus		0.0062	0.3652	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0103	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0062	0.3652	0.3652
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0062	0.3652	0.3652
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0103	1	1
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0202	0.0202
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0062	0.3652	0.3652
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0062	0.3652	0.3652
Brugia malayi	Cation transporter family protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	ACC-1 protein	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0062	0.3652	0.3652
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0062	0.3652	0.3652
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0062	0.3652	0.3652
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0062	0.3652	0.3652
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0062	0.3652	0.3652
Schistosoma mansoni	serine/threonine protein kinase	0.0103	1	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0103	1	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0062	0.3652	0.3652
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0062	0.3652	0.3652
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	ACC-1 protein	0.0062	0.3652	0.3652
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0062	0.3652	0.3652
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit	0.0062	0.3652	0.3652
Brugia malayi	Cation transporter family protein	0.0062	0.3652	0.3652
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0062	0.3652	0.3652
Onchocerca volvulus		0.0062	0.3652	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0062	0.3652	0.3652
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0062	0.3652	0.3652
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0062	0.3652	0.3652
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0103	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0062	0.3652	0.3652
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0062	0.3652	0.3652
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0062	0.3652	0.3652

Activities

Activity type	Activity value	Assay description	Source	Reference
Eye toxicity (ADMET)	No 0	Compound was evaluated for ocular toxicity assessed after oral dosing at 40 mg/kg b.i.d. in male Wistar rat; No	ChEMBL.	11844678
Eye toxicity (ADMET)	No 0	Ocular toxicity was assessed after oral dosing of the compound at 40 mg/Kg b.i.d. for 4 days in male Wistar rats; No	ChEMBL.	No reference
IC50 (functional)	= 0.7 nM	Anti-angiogenic activity is measured by quantitation of microvessel growth inhibition in rat aortic rings cultured in a fibrin clot for 8 days	ChEMBL.	No reference
IC50 (functional)	= 7 nM	Anti-angiogenic activity as inhibition of microvessel growth in rat aortic ring cultured in a fibrin clot	ChEMBL.	11844678
Inhibition (functional)	= 42 %	In vivo anti-tumor and anti-metastatic activity was measured after oral dosing 15 mg/kg b.i.d. to B6D2F1 mice bearing metastatic 3LL Lewis lung tumor	ChEMBL.	11844678
Inhibition (functional)	= 42 %	In vivo percentage inhibition of 3LL Lewis Lung tumor mets formation were measured after oral dosing b.i.d. for 28 days to B6D2F1 mice at a dose of 15 mg/kg b.i.d	ChEMBL.	No reference
Inhibition (functional)	= 42 %	In vivo percentage inhibition of 3LL Lewis Lung tumor mets formation were measured after oral dosing b.i.d. for 28 days to B6D2F1 mice at a dose of 15 mg/kg b.i.d	ChEMBL.	No reference

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: CHEMBL14279
PubChem: 9887599

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 13823