TDR Targets

Basic information

Technical information

TDR Targets ID: 1524717
Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-( 1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl) methanone
MW: 465.009 | Formula: C22H29ClN4O3S
H donors: 0 H acceptors: 3 LogP: 3.03 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(cn1C)S(=O)(=O)N1CCCCC1)N1CCN(CC1)c1cc(Cl)ccc1C
InChi: 1S/C22H29ClN4O3S/c1-17-6-7-18(23)14-20(17)25-10-12-26(13-11-25)22(28)21-15-19(16-24(21)2)31(29,30)27-8-4-3-5-9-27/h6-7,14-16H,3-5,8-13H2,1-2H3
InChiKey: SXLIIMKEGPSFHI-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]-[1-methyl-4-(1-piperidylsulfonyl)pyrrol-2-yl]methanone
[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[1-methyl-4-(1-piperidylsulfonyl)-2-pyrrolyl]methanone
[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(1-methyl-4-piperidinosulfonyl-pyrrol-2-yl)methanone
[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)methanone
NCGC00132563-01
G636-0871

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

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
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0113	0.0113
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.4211	0.4924
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.2551	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.2551	1
Echinococcus granulosus	tar DNA binding protein	0.0063	0.3524	0.4099
Brugia malayi	MAP kinase sur-1	0.0051	0.2551	0.4394
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.8437	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3524	0.3524
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0431	0.0852
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2594	0.4824
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0024	0.0431	0.0852
Echinococcus granulosus	intermediate filament protein	0.0027	0.0667	0.0666
Echinococcus multilocularis	zinc finger protein	0.0024	0.0406	0.0296
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1957	0.2216
Echinococcus multilocularis	lamin	0.0027	0.0667	0.0561
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.2551	0.2929
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0113	0.0113
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.2551	0.2466
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0166	0.0105
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.2551	1
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0431	0.0852
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.3524	0.3451
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3524	0.3524
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3524	0.3524
Onchocerca volvulus		0.0027	0.0667	1
Treponema pallidum	ribonuclease H (rnhA)	0.0022	0.0283	0.5
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0687	0.0687
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0166	0.0065
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0687	0.0581
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.2551	0.5049
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.8437	0.8419
Schistosoma mansoni	hypothetical protein	0.0083	0.5053	0.5053
Brugia malayi	intermediate filament protein	0.0027	0.0667	0.0999
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0506	0.0765
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0667	0.0999
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0667	0.1078
Loa Loa (eye worm)	RNA binding protein	0.0063	0.3524	0.6633
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3524	0.3524
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.4211	0.4145
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.2551	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0506	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0085	0.5256	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0166	0.0166
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.3524	0.6148
Schistosoma mansoni	thyroid hormone receptor	0.0146	1	1
Echinococcus granulosus	lamin	0.0027	0.0667	0.0666
Brugia malayi	TAR-binding protein	0.0063	0.3524	0.6148
Onchocerca volvulus		0.0027	0.0667	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1957	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0628	0.1003
Brugia malayi	Bromodomain containing protein	0.0091	0.5662	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2188	0.4035
Brugia malayi	RNase H family protein	0.0022	0.0283	0.0308
Echinococcus multilocularis	ribonuclease H1	0.0022	0.0283	0.0173
Schistosoma mansoni	lamin	0.0027	0.0667	0.0667
Leishmania major	ribonuclease H1, putative	0.0022	0.0283	0.1111
Schistosoma mansoni	coup transcription factor	0.002	0.0113	0.0113
Echinococcus granulosus	ribonuclease H1	0.0022	0.0283	0.0205
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.2551	1
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0225	0.0218
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.3524	0.6633
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3524	0.3524
Echinococcus granulosus	zinc finger protein	0.0024	0.0406	0.0352
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.2551	0.2929
Trypanosoma cruzi	ribonuclease H1, putative	0.0022	0.0283	0.1111
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.2551	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0166	0.0054
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.2551	0.4741
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0166	0.0166
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0113	0.0113
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0166	0.0166
Brugia malayi	RNA binding protein	0.0063	0.3524	0.6148
Schistosoma mansoni	zinc finger protein	0.0024	0.0406	0.0406
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0113	0.0113
Brugia malayi	RNase H family protein	0.0022	0.0283	0.0308
Echinococcus multilocularis	musashi	0.0027	0.0667	0.0561
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0431	0.0852
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2413	0.4472
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0166	0.0065
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.2551	1
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.2551	0.2551
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0113	0.0113
Trypanosoma cruzi	ribonuclease H1, putative	0.0022	0.0283	0.1111
Onchocerca volvulus	Ribonuclease H1 homolog	0.0022	0.0283	0.3081
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0166	0.0166
Schistosoma mansoni	thyroid hormone receptor	0.0146	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0113	0.0113
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.2551	0.2466
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0667	0.1078
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.3524	0.6633
Brugia malayi	PHD-finger family protein	0.003	0.0912	0.144
Brugia malayi	RNase H family protein	0.0022	0.0283	0.0308
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.2551	1
Schistosoma mansoni	lamin	0.0027	0.0667	0.0667
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0667	0.0667
Trypanosoma brucei	unspecified product	0.0024	0.0431	0.0852
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0283	0.0283
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0283	0.0283
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0687	0.069
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.2551	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.2551	1
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0283	0.0283
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0166	0.0054
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0113	0.0113
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0022	0.0283	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.2551	1
Schistosoma mansoni	hypothetical protein	0.0126	0.8437	0.8437
Trypanosoma brucei	protein kinase, putative	0.0051	0.2551	0.5049
Schistosoma mansoni	bromodomain containing protein	0.0076	0.4551	0.4551
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.2551	1
Trypanosoma brucei	RNA helicase, putative	0.0083	0.5053	1
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0113	0.0113
Trypanosoma brucei	ribonuclease H1	0.0022	0.0283	0.0561
Brugia malayi	Bromodomain containing protein	0.0046	0.2181	0.3728
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0113	0.0113
Echinococcus granulosus	lamin dm0	0.0027	0.0667	0.0666
Echinococcus multilocularis	lamin dm0	0.0027	0.0667	0.0561
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0667	0.1078

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	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

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: CHEMBL1736797

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 1524717