TDR Targets

Basic information

Technical information

TDR Targets ID: 1492501
Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-( 3,6-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-4 -yl)methanone
MW: 459.971 | Formula: C26H26ClN5O
H donors: 0 H acceptors: 3 LogP: 5.34 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)N1CCN(CC1)C(=O)c1cc(C)nc2c1c(C)nn2c1ccccc1)C
InChi: 1S/C26H26ClN5O/c1-17-9-10-20(27)16-23(17)30-11-13-31(14-12-30)26(33)22-15-18(2)28-25-24(22)19(3)29-32(25)21-7-5-4-6-8-21/h4-10,15-16H,11-14H2,1-3H3
InChiKey: SIJAZEGNWFKVJJ-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

[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(3,6-dimethyl-1-phenyl-pyrazolo[5,4-b]pyridin-4-yl)methanone
[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-(3,6-dimethyl-1-phenyl-4-pyrazolo[5,4-b]pyridinyl)methanone
E981-0863
NCGC00127320-01

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 multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0576	0.08
Echinococcus multilocularis	protein kinase c epsilon type	0.0016	0.1433	0.1991
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Echinococcus granulosus	protein kinase c iota type	0.0015	0.1249	0.1736
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0366	0.0509
Brugia malayi	protein kinase C3,putative	0.0006	0.0027	0.0045
Plasmodium falciparum	lysophospholipase, putative	0.0077	1	1
Toxoplasma gondii	AGC kinase	0.0009	0.0366	0.6358
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Schistosoma mansoni	protein kinase C mu	0.0006	0.0027	0.0037
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0009	0.0366	0.0509
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Leishmania major	monoglyceride lipase, putative	0.0077	1	1
Brugia malayi	Hr1 repeat family protein	0.0009	0.0366	0.0613
Trichomonas vaginalis	conserved hypothetical protein	0.0077	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0366	0.0509
Entamoeba histolytica	P-glycoprotein 5, putative	0.001	0.0576	0.0576
Trichomonas vaginalis	conserved hypothetical protein	0.0077	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0576	0.08
Loa Loa (eye worm)	multidrug resistance protein 3	0.001	0.0576	0.0999
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0576	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0183	0.0318
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0576	0.08
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0576	0.0447
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0006	0.0027	0.0047
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0009	0.0366	0.0635
Brugia malayi	protein kinase C II.	0.0016	0.1433	0.2399
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.001	0.0576	0.0999
Plasmodium falciparum	lysophospholipase, putative	0.0077	1	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0009	0.0366	0.0635
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0009	0.0366	0.0509
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0057	0.7194	1
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0008	0.0183	0.0255
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0006	0.0027	0.0045
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0576	0.0447
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0009	0.0366	0.0509
Echinococcus multilocularis	unc 13 (munc13)	0.0008	0.0183	0.0255
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0366	0.0635
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0006	0.0027	0.0037
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.0576	0.0447
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.7194	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0077	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0576	0.0447
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0009	0.0366	0.0509
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Entamoeba histolytica	protein kinase, putative	0.0009	0.0366	0.0366
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0009	0.0366	0.0635
Echinococcus multilocularis	RNA directed DNA polymerase	0.0041	0.4879	0.6781
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0077	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.056	0.0971
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Schistosoma mansoni	atypical protein kinase C	0.0015	0.1249	0.1736
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0006	0.0027	0.0047
Trypanosoma brucei	monoglyceride lipase, putative	0.0077	1	1
Entamoeba histolytica	P-glycoprotein-1	0.001	0.0576	0.0576
Trichomonas vaginalis	abcb9, putative	0.001	0.0576	0.0447
Schistosoma mansoni	serine/threonine protein kinase	0.0057	0.7194	1
Echinococcus multilocularis	ATP binding cassette sub family B	0.001	0.056	0.0778
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.001	0.056	0.0778
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0576	0.08
Brugia malayi	Protein kinase c protein 2	0.0049	0.5972	1
Schistosoma mansoni	multidrug resistance protein	0.001	0.0576	0.08
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0009	0.0366	0.0509
Schistosoma mansoni	serine/threonine kinase	0.0009	0.0366	0.0509
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0576	0.08
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0366	0.0613
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0006	0.0027	0.0037
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0077	1	1
Schistosoma mansoni	multidrug resistance protein	0.001	0.0576	0.08
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0009	0.0366	0.0635
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0576	0.08
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0009	0.0366	0.0635
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Trichomonas vaginalis	taga, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0009	0.0339	0.0207
Entamoeba histolytica	P-glycoprotein-5	0.001	0.0576	0.0576
Echinococcus granulosus	NDR protein kinase	0.0009	0.0366	0.0509
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.001	0.0576	1
Trichomonas vaginalis	abcb9, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0576	0.0447
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0576	0.08
Echinococcus granulosus	RNA directed DNA polymerase	0.0041	0.4879	0.6781
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0009	0.0366	0.0509
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.001	0.0576	0.5
Schistosoma mansoni	unc-13 (munc13)	0.0008	0.0183	0.0255
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0016	0.1433	0.2486
Echinococcus granulosus	protein kinase c epsilon type	0.0016	0.1433	0.1991
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.001	0.0576	1
Echinococcus granulosus	multidrug resistance protein 1	0.0007	0.0135	0.0188
Entamoeba histolytica	protein kinase, putative	0.0009	0.0366	0.0366
Plasmodium vivax	PST-A protein	0.0077	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0041	0.4879	0.8467
Plasmodium falciparum	lysophospholipase, putative	0.0077	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0576	0.0447
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0042	0.5089	0.8832
Trypanosoma cruzi	monoglyceride lipase, putative	0.0077	1	0.5
Schistosoma mansoni	protein kinase C	0.0008	0.0183	0.0255
Onchocerca volvulus		0.001	0.0576	1
Brugia malayi	C1-like domain containing protein	0.0006	0.0027	0.0045
Loa Loa (eye worm)	hypothetical protein	0.001	0.0576	0.0999
Schistosoma mansoni	serine/threonine protein kinase	0.0016	0.1433	0.1991
Echinococcus multilocularis	protein kinase c iota type	0.0015	0.1249	0.1736
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Brugia malayi	Protein kinase domain containing protein	0.0006	0.0027	0.0045
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.0576	0.08
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0077	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0576	0.08
Entamoeba histolytica	P-glycoprotein-2, putative	0.001	0.0576	0.0576
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0027	0.0037
Entamoeba histolytica	P-glycoprotein-2	0.001	0.0576	0.0576
Entamoeba histolytica	protein kinase, putative	0.0009	0.0366	0.0366
Echinococcus multilocularis	multidrug resistance protein 1	0.0007	0.0135	0.0188
Brugia malayi	ABC transporter family protein	0.001	0.0576	0.0964
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0366	0.0509
Echinococcus granulosus	multidrug resistance protein 1	0.0007	0.0135	0.0188
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0008	0.0183	0.0255
Entamoeba histolytica	P-glyco protein 6, putative	0.001	0.0576	0.0576
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0576	0.08
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0576	0.08
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0009	0.0366	0.0509
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0077	1	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0009	0.0366	0.0635
Schistosoma mansoni	unc-13 (munc13)	0.0008	0.0183	0.0255
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0077	1	1
Trichomonas vaginalis	abcb9, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Mycobacterium ulcerans	hypothetical protein	0.0077	1	0.5
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0077	1	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0576	0.08
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0041	0.4879	0.6781
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0009	0.0366	0.0635
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0576	0.08
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.0576	0.08
Plasmodium falciparum	esterase, putative	0.0077	1	1
Schistosoma mansoni	smdr2	0.001	0.0576	0.08
Echinococcus granulosus	serine:threonine protein kinase N2	0.0009	0.0366	0.0509
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0009	0.0366	0.0509
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Mycobacterium ulcerans	lysophospholipase	0.0077	1	0.5
Brugia malayi	multidrug resistance protein 3	0.001	0.0576	0.0964
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0576	0.0447
Loa Loa (eye worm)	hypothetical protein	0.0047	0.5762	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0576	0.0999
Brugia malayi	p70 ribosomal S6 kinase beta	0.0009	0.0366	0.0613
Echinococcus granulosus	protein kinase C gamma type	0.0051	0.6311	0.8772
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0077	1	1
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0366	0.0613
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0576	0.0447
Echinococcus granulosus	Protein kinase C brain isozyme	0.0057	0.7194	1
Schistosoma mansoni	multidrug resistance protein	0.001	0.0576	0.08
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0009	0.0366	0.0509
Trichomonas vaginalis	AGC family protein kinase	0.0009	0.0366	0.0234
Entamoeba histolytica	protein kinase, putative	0.0009	0.0366	0.0366
Brugia malayi	Protein kinase domain containing protein	0.0009	0.0366	0.0613
Schistosoma mansoni	serine/threonine protein kinase	0.0009	0.0366	0.0509
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0576	0.0447
Onchocerca volvulus		0.0008	0.0183	0.3187
Echinococcus granulosus	unc 13 munc13	0.0008	0.0183	0.0255
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0077	1	1
Echinococcus multilocularis	serine threonine protein kinase	0.0051	0.6311	0.8772
Entamoeba histolytica	P-glycoprotein-2	0.001	0.0576	0.0576
Schistosoma mansoni	serine/threonine protein kinase	0.0006	0.0027	0.0037
Mycobacterium tuberculosis	Possible lysophospholipase	0.0077	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	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: CHEMBL1700205

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 1492501