TDR Targets

Basic information

Technical information

TDR Targets ID: 1806361
Name: 1-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)- 3,4,5-trimethylpyrazole
MW: 296.768 | Formula: C15H18ClFN2O
H donors: 0 H acceptors: 1 LogP: 4.56 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(Oc1cc(c(cc1Cl)F)n1nc(c(c1C)C)C)C
InChi: 1S/C15H18ClFN2O/c1-8(2)20-15-7-14(13(17)6-12(15)16)19-11(5)9(3)10(4)18-19/h6-8H,1-5H3
InChiKey: TZFYSAOKOYAASI-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-(4-chloro-2-fluoro-5-isopropoxy-phenyl)-3,4,5-trimethyl-pyrazole
1-(4-chloro-2-fluoro-5-isopropoxyphenyl)-3,4,5-trimethylpyrazole
1-(4-chloro-2-fluoro-5-propan-2-yloxy-phenyl)-3,4,5-trimethyl-pyrazole

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	multidrug resistance associated protein 7	0.0026	0.4731	0.4731
Brugia malayi	multidrug resistance related protein 1	0.0026	0.4731	0.4731
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0036	0.866	0.8635
Schistosoma mansoni	multidrug resistance protein	0.0026	0.4731	0.4731
Brugia malayi	ABC transporter transmembrane region family protein	0.0026	0.4731	0.4731
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	0.866	0.866
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0026	0.4731	0.4633
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Brugia malayi	ABC transporter	0.0014	0.0183	0.0183
Echinococcus multilocularis	multidrug resistance protein 1	0.0036	0.866	0.8635
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	0.866	0.866
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	0.866	0.8635
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Entamoeba histolytica	P-glycoprotein-1	0.0036	0.866	0.866
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0014	0.0183	0.5
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6333	0.6265
Plasmodium vivax	multidrug resistance protein 1, putative	0.0036	0.866	0.8635
Brugia malayi	multidrug Resistance Protein family member (mrp-5), putative	0.0014	0.0183	0.0183
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Schistosoma mansoni	multidrug resistance protein	0.0036	0.866	0.866
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0026	0.4731	0.4633
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0026	0.4731	0.4731
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0026	0.4731	0.4731
Onchocerca volvulus		0.0036	0.866	0.5
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0039	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0183	0.0183
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0036	0.866	0.8635
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Giardia lamblia	MRP-like ABC transporter	0.0026	0.4731	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6332	0.6264
Echinococcus granulosus	multidrug resistance protein 1	0.0036	0.866	0.866
Brugia malayi	multidrug resistance protein 3	0.0036	0.866	0.866
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.0183	0.0183
Schistosoma mansoni	multidrug resistance protein	0.0026	0.4731	0.4731
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	0.866	0.866
Giardia lamblia	Multidrug resistance-associated protein 1	0.0025	0.4548	0.9614
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Entamoeba histolytica	P-glycoprotein 5, putative	0.0036	0.866	0.866
Entamoeba histolytica	ABC transporter, putative	0.0026	0.4731	0.4731
Schistosoma mansoni	multidrug resistance protein	0.0036	0.866	0.866
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	0.866	0.866
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6333	0.6265
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6332	0.6264
Loa Loa (eye worm)	hypothetical protein	0.0026	0.4731	0.4731
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Echinococcus multilocularis	ATP binding cassette sub family B	0.0035	0.8478	0.845
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0039	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6332	0.6264
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0036	0.866	0.866
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	0.866	0.8635
Loa Loa (eye worm)	ABC transporter	0.0014	0.0183	0.0183
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	0.866	0.866
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0036	0.866	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0026	0.4731	0.4633
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0026	0.4731	0.4731
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0039	1	1
Trichomonas vaginalis	abcb9, putative	0.0036	0.866	0.866
Entamoeba histolytica	hypothetical protein	0.0026	0.4731	0.4731
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0039	1	1
Schistosoma mansoni	ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7)	0.0014	0.0183	0.0183
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.3608	0.3608
Schistosoma mansoni	multidrug resistance protein	0.0014	0.0183	0.0183
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	0.866	0.866
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	0.866	0.866
Echinococcus granulosus	ATP binding cassette sub family B	0.0014	0.0183	0.0183
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0036	0.866	0.866
Schistosoma mansoni	smdr1	0.0014	0.0183	0.0183
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Echinococcus granulosus	multidrug resistance associated protein 1	0.0026	0.4731	0.4731
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Trichomonas vaginalis	ABC transporter, putative	0.0036	0.866	0.866
Entamoeba histolytica	P-glycoprotein 6, putative	0.0014	0.0183	0.0183
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0026	0.4731	0.4633
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0026	0.4731	0.4633
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0036	0.866	0.866
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0014	0.0183	0.5
Brugia malayi	ABC transporter transmembrane region family protein	0.0014	0.0183	0.0183
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0014	0.0183	0.5
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0039	1	1
Plasmodium falciparum	multidrug resistance protein 1	0.0036	0.866	0.8635
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0039	1	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0036	0.866	0.5
Entamoeba histolytica	P-glycoprotein-5	0.0036	0.866	0.866
Leishmania major	p-glycoprotein e	0.0026	0.4731	0.4633
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0014	0.0183	0.5
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0036	0.866	0.866
Echinococcus granulosus	multidrug resistance protein 1	0.0036	0.866	0.866
Leishmania major	pentamidine resistance protein 1	0.0026	0.4731	0.4633
Trichomonas vaginalis	ABC transporter, putative	0.0036	0.866	0.866
Trichomonas vaginalis	abcb9, putative	0.0036	0.866	0.866
Trichomonas vaginalis	ABC transporter, putative	0.0036	0.866	0.866
Loa Loa (eye worm)	ABC transporter	0.0014	0.0183	0.0183
Brugia malayi	P-glycoprotein-like protein	0.0014	0.0183	0.0183
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0026	0.4731	0.4731
Brugia malayi	ABC transporter family protein	0.0014	0.0183	0.0183
Giardia lamblia	Multidrug resistance-associated protein 1	0.0026	0.4731	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6333	0.6265
Trichomonas vaginalis	abcb9, putative	0.0036	0.866	0.866
Trypanosoma brucei	trans-sialidase	0.003	0.6333	0.6265
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6333	0.6265
Echinococcus granulosus	ATP binding cassette sub family B	0.0014	0.0183	0.0183
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0014	0.0183	0.5
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0035	0.8478	0.8478
Brugia malayi	ABC transporter family protein	0.0014	0.0183	0.0183
Leishmania major	ABC-thiol transporter	0.0026	0.4731	0.4633
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0026	0.4731	0.4633
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0039	1	1
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Brugia malayi	hypothetical protein	0.0014	0.0183	0.0183
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0014	0.0183	0.5
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6333	0.6265
Schistosoma mansoni	multidrug resistance protein	0.0036	0.866	0.866
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	0.866	0.8635
Leishmania major	p-glycoprotein	0.0036	0.866	0.8635
Loa Loa (eye worm)	hypothetical protein	0.0025	0.4548	0.4548
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Entamoeba histolytica	P-glycoprotein 6, putative	0.0014	0.0183	0.0183
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6332	0.6264
Echinococcus granulosus	multidrug resistance protein 1	0.0036	0.866	0.866
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	0.866	0.8635
Brugia malayi	ABC transporter family protein	0.0014	0.0183	0.0183
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Trichomonas vaginalis	taga, putative	0.0036	0.866	0.866
Schistosoma mansoni	multidrug resistance protein	0.0026	0.4731	0.4731
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.3608	0.3608
Loa Loa (eye worm)	hypothetical protein	0.0026	0.4731	0.4731
Loa Loa (eye worm)	hypothetical protein	0.0036	0.866	0.866
Entamoeba histolytica	multidrug resistance protein, putative	0.0026	0.4731	0.4731
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0036	0.866	0.8635
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6333	0.6265
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0026	0.4731	0.4633
Trypanosoma brucei	p-glycoprotein	0.0026	0.4731	0.4633
Entamoeba histolytica	P-glycoprotein-2	0.0036	0.866	0.866
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0026	0.4731	0.4633
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Brugia malayi	ABC transporter family protein	0.0036	0.866	0.866
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Schistosoma mansoni	smdr2	0.0036	0.866	0.866
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0036	0.866	0.866
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0026	0.4731	0.4633
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0039	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Entamoeba histolytica	P-glyco protein 6, putative	0.0036	0.866	0.866
Entamoeba histolytica	P-glycoprotein-2, putative	0.0036	0.866	0.866
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0014	0.0183	0.5
Loa Loa (eye worm)	multidrug resistance protein 3	0.0036	0.866	0.866
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6333	0.6265
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6333	0.6265
Trichomonas vaginalis	ABC transporter, putative	0.0036	0.866	0.866
Echinococcus multilocularis	multidrug resistance protein 1	0.0036	0.866	0.8635
Trypanosoma brucei	multidrug resistance protein E	0.0026	0.4731	0.4633
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0039	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265
Entamoeba histolytica	P-glycoprotein-2	0.0036	0.866	0.866
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0014	0.0183	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0026	0.4731	0.4731
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0036	0.866	0.866
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0036	0.866	0.866
Loa Loa (eye worm)	ABC transporter	0.0014	0.0183	0.0183
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.3608	0.3608
Loa Loa (eye worm)	hypothetical protein	0.0035	0.8478	0.8478
Giardia lamblia	ABC transporter, putative	0.0026	0.4731	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0014	0.0183	0.5
Giardia lamblia	Multidrug resistance-associated protein 1	0.0026	0.4731	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0036	0.866	0.8635
Schistosoma mansoni	multidrug resistance protein	0.0026	0.4731	0.4731
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0026	0.4731	0.4633
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.3608	0.3489
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0026	0.4731	0.4633
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0026	0.4731	0.4633
Loa Loa (eye worm)	hypothetical protein	0.0036	0.866	0.866
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6333	0.6265

Activities

No activities found for this compound.

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: CHEMBL2272826

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 1806361