TDR Targets

Basic information

Technical information

TDR Targets ID: 1350863
Name: 1-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-y l]methyl]piperidin-4-yl]-3-phenylpropan-1-ol
MW: 407.524 | Formula: C25H30FN3O
H donors: 1 H acceptors: 2 LogP: 4.27 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cn1nc(c(c1)CN1CCC(CC1)C(CCc1ccccc1)O)c1ccccc1F
InChi: 1S/C25H30FN3O/c1-28-17-21(25(27-28)22-9-5-6-10-23(22)26)18-29-15-13-20(14-16-29)24(30)12-11-19-7-3-2-4-8-19/h2-10,17,20,24,30H,11-16,18H2,1H3
InChiKey: MZXIYEJYRZQJPV-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-[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidyl]-3-phenyl-propan-1-ol
1-[1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidinyl]-3-phenylpropan-1-ol
1-[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenyl-propan-1-ol
MLS000734278
SMR000317735
1-(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)-3-phenylpropan-1-ol

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
Echinococcus granulosus	amiloride sensitive cation channel	0.0029	0.6786	0.7563
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Echinococcus granulosus	amiloride sensitive sodium channel	0.0029	0.6786	0.7563
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.1028	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.8972	1
Brugia malayi	Amiloride-sensitive sodium channel family protein	0.0029	0.6786	0.7563
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Echinococcus granulosus	Na channel amiloride sensitive	0.0029	0.6786	0.7563
Brugia malayi	Degenerin-like protein ZK770.1 in chromosome I, putative	0.0029	0.6786	0.7563
Brugia malayi	amiloride-sensitive sodium channel alpha-subunit, putative	0.0029	0.6786	0.7563
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Schistosoma mansoni	amiloride-sensitive sodium channel-related	0.0029	0.6786	0.6786
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.1028	0.1028
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Echinococcus multilocularis	amiloride sensitive cation channel acid sensing ion channel pituitary	0.0029	0.6786	0.7563
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.1028	0.1145
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.8972	1
Echinococcus multilocularis	amiloride sensitive cation channel 4 A	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Echinococcus multilocularis	Na+ channel, amiloride sensitive	0.0029	0.6786	0.7563
Echinococcus multilocularis	protein vprbp	0.0029	0.6786	0.7563
Schistosoma mansoni	acid sensing ion channel 4 pituitary	0.0029	0.6786	0.6786
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Echinococcus multilocularis	amiloride sensitive cation channel 4 A	0.0029	0.6786	0.7563
Echinococcus granulosus	sodium channel nonvoltage gated 1 alpha	0.0029	0.6786	0.7563
Echinococcus granulosus	Na channel amiloride sensitive	0.0029	0.6786	0.7563
Echinococcus multilocularis	Na+ channel, amiloride sensitive	0.0029	0.6786	0.7563
Echinococcus granulosus	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Schistosoma mansoni	amiloride-sensitive sodium channel-related	0.0029	0.6786	0.6786
Loa Loa (eye worm)	amiloride-sensitive sodium channel	0.0029	0.6786	0.7563
Schistosoma mansoni	amiloride-sensitive sodium channel-related	0.0029	0.6786	0.6786
Brugia malayi	Degenerin mec-4	0.0029	0.6786	0.7563
Echinococcus granulosus	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.8236	1
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.1028	0.1028
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0029	0.6786	0.7563
Loa Loa (eye worm)	amiloride-sensitive sodium channel family protein	0.0029	0.6786	0.7563
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0034	0.8236	1
Echinococcus granulosus	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Onchocerca volvulus		0.0029	0.6786	0.5
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Loa Loa (eye worm)	hypothetical protein	0.0032	0.7495	0.8354
Echinococcus granulosus	amiloride sensitive cation channel 4 A	0.0029	0.6786	0.7563
Echinococcus multilocularis	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Schistosoma mansoni	amiloride-sensitive sodium channel-related	0.0029	0.6786	0.6786
Echinococcus multilocularis	sodium channel nonvoltage gated 1 alpha	0.0029	0.6786	0.7563
Onchocerca volvulus		0.0029	0.6786	0.5
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.1028	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0011	0.1028	0.1145
Loa Loa (eye worm)	degenerin unc-8	0.0029	0.6786	0.7563
Brugia malayi	Degenerin unc-8	0.0029	0.6786	0.7563
Schistosoma mansoni	voltage-gated potassium channel	0.004	1	1
Schistosoma mansoni	FMRFamide-gated Na+ channel	0.0029	0.6786	0.6786
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.1028	0.1145
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.8972	1
Echinococcus granulosus	protein vprbp	0.0029	0.6786	0.7563
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Brugia malayi	Amiloride-sensitive sodium channel family protein	0.0029	0.6786	0.7563
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Schistosoma mansoni	hypothetical protein	0.0029	0.6786	0.6786
Loa Loa (eye worm)	amiloride-sensitive sodium channel family protein	0.0029	0.6786	0.7563
Brugia malayi	Degenerin-like protein C41C4.5 in chromosome II, putative	0.0029	0.6786	0.7563
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.8972	1
Echinococcus granulosus	FMRFamide activated amiloride sensitive sodium	0.0029	0.6786	0.7563
Echinococcus granulosus	amiloride sensitive cation channel 4 A	0.0029	0.6786	0.7563
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.1028	0.1145

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1447152

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1350863